USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 SER OG : rot 180:sc= -0.284 USER MOD Set 1.2: A 108 THR OG1 : rot 180:sc= -1.15! USER MOD Set 2.1: A 98 SER OG : rot -159:sc= -0.972! USER MOD Set 2.2: A 101 SER OG : rot -120:sc= 0.0167 USER MOD Set 3.1: A 15 ASN : amide:sc= -1.16 K(o=-0.95,f=-2.2) USER MOD Set 3.2: A 28 THR OG1 : rot 180:sc= 0.217 USER MOD Set 4.1: A 11 ASN : amide:sc= -0.606 X(o=-0.61,f=-0.13) USER MOD Set 4.2: A 32 ASN : amide:sc= 0 X(o=-0.61,f=-0.13) USER MOD Set 5.1: A 5 SER OG : rot 180:sc= -1.12 USER MOD Set 5.2: A 14 HIS : no HE2:sc= -7.98! C(o=-9.1!,f=-9.4!) USER MOD Single : A 1 VAL N :NH3+ -154:sc= -1.69! (180deg=-2.56!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.129 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -80:sc= -0.947 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.215 USER MOD Single : A 25 SER OG : rot 130:sc= 0.121 USER MOD Single : A 29 TYR OH : rot -46:sc= -1.94! USER MOD Single : A 30 SER OG : rot -66:sc= -2.25! USER MOD Single : A 33 SER OG : rot 59:sc= 1.05 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -52:sc= -2.63! USER MOD Single : A 40 ASN : amide:sc= -0.812 K(o=-0.81,f=-0.045) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.13 USER MOD Single : A 55 THR OG1 : rot -150:sc= -6.3! USER MOD Single : A 57 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.15) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HE2:sc= -2.6 K(o=-2.6,f=-4.3!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -110:sc= -1.05 USER MOD Single : A 68 ASN : amide:sc= -0.116 K(o=-0.12,f=-2.3!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 28:sc= 0.736 USER MOD Single : A 73 SER OG : rot 180:sc= -0.118 USER MOD Single : A 76 LYS NZ :NH3+ -123:sc= -0.0741 (180deg=-0.514) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -35:sc= -3.64! USER MOD Single : A 80 SER OG : rot 180:sc= 0.199! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.31 K(o=-1.3,f=-4.3!) USER MOD Single : A 84 ASN : amide:sc= -2.64! C(o=-2.6!,f=-2.6!) USER MOD Single : A 88 LYS NZ :NH3+ -151:sc= -0.0663 (180deg=-0.834) USER MOD Single : A 90 LYS NZ :NH3+ 165:sc= -0.737 (180deg=-1.28) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -132:sc= 0.717 (180deg=-0.136) USER MOD Single : A 96 SER OG : rot -65:sc= 0.583 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 27:sc= 1.13 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0087 USER MOD Single : A 107 ASN : amide:sc= -5.58! C(o=-5.6!,f=-17!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -18.249 13.873 -10.233 1.00 0.00 N ATOM 2 CA VAL A 1 -18.343 13.758 -8.749 1.00 0.00 C ATOM 3 C VAL A 1 -16.951 13.551 -8.146 1.00 0.00 C ATOM 4 O VAL A 1 -16.027 13.136 -8.818 1.00 0.00 O ATOM 5 CB VAL A 1 -19.229 12.539 -8.500 1.00 0.00 C ATOM 6 CG1 VAL A 1 -20.516 12.674 -9.316 1.00 0.00 C ATOM 7 CG2 VAL A 1 -18.486 11.269 -8.927 1.00 0.00 C ATOM 0 H1 VAL A 1 -19.053 14.427 -10.590 1.00 0.00 H new ATOM 0 H2 VAL A 1 -17.360 14.348 -10.489 1.00 0.00 H new ATOM 0 H3 VAL A 1 -18.268 12.923 -10.657 1.00 0.00 H new ATOM 0 HA VAL A 1 -18.755 14.657 -8.289 1.00 0.00 H new ATOM 0 HB VAL A 1 -19.472 12.477 -7.439 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -21.151 11.805 -9.141 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -21.045 13.577 -9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -20.270 12.735 -10.376 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -19.119 10.400 -8.749 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -18.242 11.329 -9.988 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -17.567 11.173 -8.349 1.00 0.00 H new ATOM 19 N LYS A 2 -16.794 13.842 -6.884 1.00 0.00 N ATOM 20 CA LYS A 2 -15.462 13.667 -6.238 1.00 0.00 C ATOM 21 C LYS A 2 -15.300 12.236 -5.723 1.00 0.00 C ATOM 22 O LYS A 2 -16.185 11.412 -5.845 1.00 0.00 O ATOM 23 CB LYS A 2 -15.453 14.662 -5.076 1.00 0.00 C ATOM 24 CG LYS A 2 -15.953 16.022 -5.566 1.00 0.00 C ATOM 25 CD LYS A 2 -17.200 16.424 -4.777 1.00 0.00 C ATOM 26 CE LYS A 2 -17.182 17.935 -4.527 1.00 0.00 C ATOM 27 NZ LYS A 2 -18.612 18.359 -4.571 1.00 0.00 N ATOM 0 H LYS A 2 -17.530 14.193 -6.272 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.642 13.843 -6.934 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -16.087 14.299 -4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.445 14.757 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.174 16.774 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.183 15.974 -6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -18.098 16.147 -5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -17.231 15.888 -3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.732 18.169 -3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.595 18.452 -5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.675 19.384 -4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -19.013 18.132 -5.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -19.146 17.857 -3.833 1.00 0.00 H new ATOM 41 N CYS A 3 -14.168 11.939 -5.152 1.00 0.00 N ATOM 42 CA CYS A 3 -13.923 10.566 -4.627 1.00 0.00 C ATOM 43 C CYS A 3 -13.698 10.613 -3.115 1.00 0.00 C ATOM 44 O CYS A 3 -12.989 11.456 -2.608 1.00 0.00 O ATOM 45 CB CYS A 3 -12.655 10.099 -5.342 1.00 0.00 C ATOM 46 SG CYS A 3 -13.107 9.041 -6.739 1.00 0.00 S ATOM 0 H CYS A 3 -13.395 12.593 -5.025 1.00 0.00 H new ATOM 0 HA CYS A 3 -14.765 9.896 -4.802 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -12.084 10.959 -5.693 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -12.015 9.552 -4.650 1.00 0.00 H new ATOM 51 N GLN A 4 -14.290 9.708 -2.389 1.00 0.00 N ATOM 52 CA GLN A 4 -14.092 9.703 -0.911 1.00 0.00 C ATOM 53 C GLN A 4 -13.265 8.488 -0.509 1.00 0.00 C ATOM 54 O GLN A 4 -12.978 7.626 -1.315 1.00 0.00 O ATOM 55 CB GLN A 4 -15.491 9.625 -0.296 1.00 0.00 C ATOM 56 CG GLN A 4 -16.368 8.662 -1.101 1.00 0.00 C ATOM 57 CD GLN A 4 -17.659 8.378 -0.331 1.00 0.00 C ATOM 58 OE1 GLN A 4 -18.526 9.225 -0.242 1.00 0.00 O ATOM 59 NE2 GLN A 4 -17.826 7.212 0.231 1.00 0.00 N ATOM 0 H GLN A 4 -14.900 8.975 -2.751 1.00 0.00 H new ATOM 0 HA GLN A 4 -13.562 10.592 -0.569 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -15.423 9.289 0.739 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -15.945 10.616 -0.280 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -16.601 9.094 -2.074 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -15.830 7.732 -1.285 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -17.098 6.501 0.156 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -18.684 7.012 0.745 1.00 0.00 H new ATOM 68 N SER A 5 -12.882 8.408 0.729 1.00 0.00 N ATOM 69 CA SER A 5 -12.075 7.238 1.169 1.00 0.00 C ATOM 70 C SER A 5 -12.714 5.953 0.639 1.00 0.00 C ATOM 71 O SER A 5 -13.911 5.766 0.744 1.00 0.00 O ATOM 72 CB SER A 5 -12.108 7.276 2.695 1.00 0.00 C ATOM 73 OG SER A 5 -10.839 6.884 3.200 1.00 0.00 O ATOM 0 H SER A 5 -13.090 9.096 1.453 1.00 0.00 H new ATOM 0 HA SER A 5 -11.051 7.268 0.796 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.356 8.280 3.040 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.884 6.609 3.071 1.00 0.00 H new ATOM 0 HG SER A 5 -10.855 6.908 4.180 1.00 0.00 H new ATOM 79 N PRO A 6 -11.893 5.112 0.077 1.00 0.00 N ATOM 80 CA PRO A 6 -12.385 3.831 -0.490 1.00 0.00 C ATOM 81 C PRO A 6 -12.825 2.889 0.630 1.00 0.00 C ATOM 82 O PRO A 6 -12.520 3.110 1.784 1.00 0.00 O ATOM 83 CB PRO A 6 -11.167 3.276 -1.224 1.00 0.00 C ATOM 84 CG PRO A 6 -9.993 3.905 -0.546 1.00 0.00 C ATOM 85 CD PRO A 6 -10.443 5.264 -0.081 1.00 0.00 C ATOM 0 HA PRO A 6 -13.250 3.952 -1.142 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.127 2.189 -1.157 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.194 3.530 -2.284 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.661 3.298 0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.149 3.989 -1.231 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.965 5.545 0.857 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.198 6.038 -0.808 1.00 0.00 H new ATOM 93 N PRO A 7 -13.530 1.863 0.248 1.00 0.00 N ATOM 94 CA PRO A 7 -14.014 0.868 1.233 1.00 0.00 C ATOM 95 C PRO A 7 -12.846 0.052 1.779 1.00 0.00 C ATOM 96 O PRO A 7 -11.755 0.073 1.243 1.00 0.00 O ATOM 97 CB PRO A 7 -14.961 -0.009 0.421 1.00 0.00 C ATOM 98 CG PRO A 7 -14.501 0.141 -0.995 1.00 0.00 C ATOM 99 CD PRO A 7 -13.937 1.532 -1.120 1.00 0.00 C ATOM 0 HA PRO A 7 -14.500 1.320 2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -14.913 -1.049 0.745 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -15.996 0.313 0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.746 -0.606 -1.238 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -15.329 -0.005 -1.689 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.092 1.562 -1.808 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.681 2.234 -1.498 1.00 0.00 H new ATOM 107 N SER A 8 -13.066 -0.669 2.839 1.00 0.00 N ATOM 108 CA SER A 8 -11.968 -1.491 3.419 1.00 0.00 C ATOM 109 C SER A 8 -11.757 -2.747 2.577 1.00 0.00 C ATOM 110 O SER A 8 -12.489 -3.010 1.644 1.00 0.00 O ATOM 111 CB SER A 8 -12.445 -1.860 4.821 1.00 0.00 C ATOM 112 OG SER A 8 -13.862 -1.765 4.874 1.00 0.00 O ATOM 0 H SER A 8 -13.958 -0.726 3.330 1.00 0.00 H new ATOM 0 HA SER A 8 -11.018 -0.957 3.442 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.127 -2.872 5.071 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.996 -1.194 5.558 1.00 0.00 H new ATOM 0 HG SER A 8 -14.172 -2.003 5.773 1.00 0.00 H new ATOM 118 N ILE A 9 -10.768 -3.527 2.900 1.00 0.00 N ATOM 119 CA ILE A 9 -10.522 -4.771 2.115 1.00 0.00 C ATOM 120 C ILE A 9 -10.099 -5.913 3.012 1.00 0.00 C ATOM 121 O ILE A 9 -10.167 -5.845 4.223 1.00 0.00 O ATOM 122 CB ILE A 9 -9.402 -4.466 1.120 1.00 0.00 C ATOM 123 CG1 ILE A 9 -8.427 -3.423 1.679 1.00 0.00 C ATOM 124 CG2 ILE A 9 -10.019 -3.963 -0.172 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.005 -3.970 1.564 1.00 0.00 C ATOM 0 H ILE A 9 -10.120 -3.361 3.670 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.439 -5.072 1.608 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.836 -5.379 0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.518 -2.487 1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.664 -3.204 2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.230 -3.742 -0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.679 -4.728 -0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.593 -3.058 0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.300 -3.238 1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.924 -4.895 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.775 -4.168 0.517 1.00 0.00 H new ATOM 137 N SER A 10 -9.677 -6.974 2.404 1.00 0.00 N ATOM 138 CA SER A 10 -9.257 -8.159 3.181 1.00 0.00 C ATOM 139 C SER A 10 -8.341 -7.756 4.341 1.00 0.00 C ATOM 140 O SER A 10 -7.138 -7.679 4.197 1.00 0.00 O ATOM 141 CB SER A 10 -8.513 -9.049 2.186 1.00 0.00 C ATOM 142 OG SER A 10 -9.427 -9.972 1.609 1.00 0.00 O ATOM 0 H SER A 10 -9.604 -7.073 1.391 1.00 0.00 H new ATOM 0 HA SER A 10 -10.109 -8.672 3.627 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.053 -8.440 1.408 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.707 -9.583 2.690 1.00 0.00 H new ATOM 0 HG SER A 10 -8.954 -10.544 0.969 1.00 0.00 H new ATOM 148 N ASN A 11 -8.901 -7.504 5.494 1.00 0.00 N ATOM 149 CA ASN A 11 -8.060 -7.114 6.665 1.00 0.00 C ATOM 150 C ASN A 11 -6.973 -6.127 6.235 1.00 0.00 C ATOM 151 O ASN A 11 -5.806 -6.314 6.518 1.00 0.00 O ATOM 152 CB ASN A 11 -7.430 -8.420 7.147 1.00 0.00 C ATOM 153 CG ASN A 11 -7.729 -8.617 8.635 1.00 0.00 C ATOM 154 OD1 ASN A 11 -7.908 -9.730 9.088 1.00 0.00 O ATOM 155 ND2 ASN A 11 -7.787 -7.577 9.422 1.00 0.00 N ATOM 0 H ASN A 11 -9.903 -7.551 5.676 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.643 -6.624 7.445 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.823 -9.259 6.573 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.353 -8.398 6.982 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.982 -7.700 10.416 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.637 -6.642 9.043 1.00 0.00 H new ATOM 162 N GLY A 12 -7.342 -5.079 5.553 1.00 0.00 N ATOM 163 CA GLY A 12 -6.322 -4.089 5.108 1.00 0.00 C ATOM 164 C GLY A 12 -6.958 -2.702 5.016 1.00 0.00 C ATOM 165 O GLY A 12 -8.142 -2.566 4.779 1.00 0.00 O ATOM 0 H GLY A 12 -8.303 -4.865 5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.488 -4.072 5.809 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.918 -4.380 4.138 1.00 0.00 H new ATOM 169 N ARG A 13 -6.180 -1.671 5.200 1.00 0.00 N ATOM 170 CA ARG A 13 -6.741 -0.292 5.119 1.00 0.00 C ATOM 171 C ARG A 13 -6.206 0.424 3.884 1.00 0.00 C ATOM 172 O ARG A 13 -5.445 -0.123 3.114 1.00 0.00 O ATOM 173 CB ARG A 13 -6.264 0.415 6.385 1.00 0.00 C ATOM 174 CG ARG A 13 -4.758 0.206 6.550 1.00 0.00 C ATOM 175 CD ARG A 13 -4.229 1.151 7.631 1.00 0.00 C ATOM 176 NE ARG A 13 -3.560 0.264 8.621 1.00 0.00 N ATOM 177 CZ ARG A 13 -4.049 0.143 9.826 1.00 0.00 C ATOM 178 NH1 ARG A 13 -5.068 -0.643 10.040 1.00 0.00 N ATOM 179 NH2 ARG A 13 -3.518 0.809 10.816 1.00 0.00 N ATOM 0 H ARG A 13 -5.182 -1.723 5.403 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.828 -0.300 5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.490 1.480 6.327 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.793 0.024 7.254 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.551 -0.829 6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.248 0.394 5.605 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.530 1.876 7.214 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.039 1.717 8.092 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.719 -0.250 8.358 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.482 -1.163 9.266 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.450 -0.738 10.981 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.721 1.424 10.648 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.900 0.715 11.757 1.00 0.00 H new ATOM 193 N HIS A 14 -6.602 1.648 3.701 1.00 0.00 N ATOM 194 CA HIS A 14 -6.126 2.423 2.518 1.00 0.00 C ATOM 195 C HIS A 14 -4.619 2.675 2.620 1.00 0.00 C ATOM 196 O HIS A 14 -3.865 1.813 3.018 1.00 0.00 O ATOM 197 CB HIS A 14 -6.885 3.744 2.578 1.00 0.00 C ATOM 198 CG HIS A 14 -8.351 3.486 2.800 1.00 0.00 C ATOM 199 ND1 HIS A 14 -9.276 4.516 2.877 1.00 0.00 N ATOM 200 CD2 HIS A 14 -9.068 2.327 2.961 1.00 0.00 C ATOM 201 CE1 HIS A 14 -10.484 3.962 3.076 1.00 0.00 C ATOM 202 NE2 HIS A 14 -10.415 2.630 3.135 1.00 0.00 N ATOM 0 H HIS A 14 -7.238 2.151 4.320 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.300 1.891 1.583 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.490 4.363 3.383 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.741 4.298 1.650 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -9.076 5.513 2.797 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.650 1.331 2.954 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.400 4.526 3.176 1.00 0.00 H new ATOM 210 N ASN A 15 -4.175 3.851 2.264 1.00 0.00 N ATOM 211 CA ASN A 15 -2.718 4.154 2.342 1.00 0.00 C ATOM 212 C ASN A 15 -2.349 4.624 3.756 1.00 0.00 C ATOM 213 O ASN A 15 -2.144 3.825 4.648 1.00 0.00 O ATOM 214 CB ASN A 15 -2.494 5.268 1.319 1.00 0.00 C ATOM 215 CG ASN A 15 -1.059 5.786 1.432 1.00 0.00 C ATOM 216 OD1 ASN A 15 -0.181 5.083 1.892 1.00 0.00 O ATOM 217 ND2 ASN A 15 -0.781 6.995 1.028 1.00 0.00 N ATOM 0 H ASN A 15 -4.759 4.614 1.923 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.098 3.282 2.133 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.678 4.894 0.312 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.200 6.081 1.491 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.173 7.350 1.098 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.517 7.586 0.642 1.00 0.00 H new ATOM 224 N GLY A 16 -2.262 5.911 3.970 1.00 0.00 N ATOM 225 CA GLY A 16 -1.906 6.420 5.326 1.00 0.00 C ATOM 226 C GLY A 16 -3.132 7.077 5.965 1.00 0.00 C ATOM 227 O GLY A 16 -3.716 6.552 6.892 1.00 0.00 O ATOM 0 H GLY A 16 -2.422 6.630 3.265 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.552 5.601 5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.091 7.140 5.253 1.00 0.00 H new ATOM 231 N TYR A 17 -3.529 8.221 5.476 1.00 0.00 N ATOM 232 CA TYR A 17 -4.719 8.906 6.056 1.00 0.00 C ATOM 233 C TYR A 17 -5.216 9.999 5.107 1.00 0.00 C ATOM 234 O TYR A 17 -4.873 11.156 5.244 1.00 0.00 O ATOM 235 CB TYR A 17 -4.230 9.520 7.367 1.00 0.00 C ATOM 236 CG TYR A 17 -5.416 10.019 8.157 1.00 0.00 C ATOM 237 CD1 TYR A 17 -6.378 9.113 8.618 1.00 0.00 C ATOM 238 CD2 TYR A 17 -5.555 11.385 8.428 1.00 0.00 C ATOM 239 CE1 TYR A 17 -7.479 9.573 9.350 1.00 0.00 C ATOM 240 CE2 TYR A 17 -6.656 11.846 9.160 1.00 0.00 C ATOM 241 CZ TYR A 17 -7.618 10.939 9.621 1.00 0.00 C ATOM 242 OH TYR A 17 -8.704 11.392 10.343 1.00 0.00 O ATOM 0 H TYR A 17 -3.081 8.710 4.701 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.550 8.219 6.214 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.679 8.779 7.946 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.543 10.341 7.163 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.271 8.059 8.409 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -4.813 12.084 8.072 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.221 8.874 9.706 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.763 12.900 9.369 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.648 12.365 10.443 1.00 0.00 H new ATOM 252 N GLU A 18 -6.025 9.642 4.149 1.00 0.00 N ATOM 253 CA GLU A 18 -6.545 10.663 3.196 1.00 0.00 C ATOM 254 C GLU A 18 -8.032 10.897 3.448 1.00 0.00 C ATOM 255 O GLU A 18 -8.474 12.010 3.652 1.00 0.00 O ATOM 256 CB GLU A 18 -6.324 10.064 1.808 1.00 0.00 C ATOM 257 CG GLU A 18 -4.917 9.467 1.726 1.00 0.00 C ATOM 258 CD GLU A 18 -4.936 8.039 2.274 1.00 0.00 C ATOM 259 OE1 GLU A 18 -5.862 7.314 1.951 1.00 0.00 O ATOM 260 OE2 GLU A 18 -4.024 7.695 3.007 1.00 0.00 O ATOM 0 H GLU A 18 -6.349 8.689 3.984 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.044 11.625 3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.069 9.294 1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.449 10.832 1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.570 9.467 0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.217 10.078 2.297 1.00 0.00 H new ATOM 267 N ASP A 19 -8.804 9.851 3.437 1.00 0.00 N ATOM 268 CA ASP A 19 -10.267 9.997 3.678 1.00 0.00 C ATOM 269 C ASP A 19 -10.886 10.928 2.631 1.00 0.00 C ATOM 270 O ASP A 19 -11.970 11.448 2.814 1.00 0.00 O ATOM 271 CB ASP A 19 -10.376 10.611 5.076 1.00 0.00 C ATOM 272 CG ASP A 19 -9.479 9.837 6.045 1.00 0.00 C ATOM 273 OD1 ASP A 19 -8.270 9.961 5.930 1.00 0.00 O ATOM 274 OD2 ASP A 19 -10.016 9.135 6.886 1.00 0.00 O ATOM 0 H ASP A 19 -8.486 8.896 3.271 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.796 9.046 3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.080 11.660 5.048 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.410 10.581 5.418 1.00 0.00 H new ATOM 279 N PHE A 20 -10.210 11.141 1.535 1.00 0.00 N ATOM 280 CA PHE A 20 -10.768 12.037 0.482 1.00 0.00 C ATOM 281 C PHE A 20 -10.041 11.823 -0.849 1.00 0.00 C ATOM 282 O PHE A 20 -8.871 11.497 -0.886 1.00 0.00 O ATOM 283 CB PHE A 20 -10.530 13.455 1.000 1.00 0.00 C ATOM 284 CG PHE A 20 -11.859 14.123 1.260 1.00 0.00 C ATOM 285 CD1 PHE A 20 -12.673 14.503 0.186 1.00 0.00 C ATOM 286 CD2 PHE A 20 -12.276 14.363 2.575 1.00 0.00 C ATOM 287 CE1 PHE A 20 -13.905 15.123 0.427 1.00 0.00 C ATOM 288 CE2 PHE A 20 -13.507 14.984 2.815 1.00 0.00 C ATOM 289 CZ PHE A 20 -14.322 15.364 1.742 1.00 0.00 C ATOM 0 H PHE A 20 -9.299 10.735 1.323 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.824 11.840 0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.940 13.425 1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.958 14.029 0.271 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -12.351 14.318 -0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -11.648 14.069 3.403 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -14.534 15.415 -0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -13.829 15.170 3.829 1.00 0.00 H new ATOM 0 HZ PHE A 20 -15.272 15.843 1.928 1.00 0.00 H new ATOM 299 N TYR A 21 -10.731 12.012 -1.940 1.00 0.00 N ATOM 300 CA TYR A 21 -10.097 11.830 -3.276 1.00 0.00 C ATOM 301 C TYR A 21 -10.971 12.485 -4.356 1.00 0.00 C ATOM 302 O TYR A 21 -12.045 12.980 -4.076 1.00 0.00 O ATOM 303 CB TYR A 21 -9.999 10.316 -3.464 1.00 0.00 C ATOM 304 CG TYR A 21 -8.696 9.846 -2.863 1.00 0.00 C ATOM 305 CD1 TYR A 21 -7.490 10.396 -3.310 1.00 0.00 C ATOM 306 CD2 TYR A 21 -8.690 8.867 -1.863 1.00 0.00 C ATOM 307 CE1 TYR A 21 -6.277 9.968 -2.761 1.00 0.00 C ATOM 308 CE2 TYR A 21 -7.476 8.438 -1.313 1.00 0.00 C ATOM 309 CZ TYR A 21 -6.269 8.988 -1.762 1.00 0.00 C ATOM 310 OH TYR A 21 -5.072 8.565 -1.219 1.00 0.00 O ATOM 0 H TYR A 21 -11.713 12.286 -1.963 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.115 12.296 -3.351 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.841 9.818 -2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.042 10.061 -4.523 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.496 11.153 -4.081 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.621 8.443 -1.516 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.347 10.394 -3.108 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.470 7.682 -0.542 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.653 7.913 -1.819 1.00 0.00 H new ATOM 320 N THR A 22 -10.520 12.516 -5.581 1.00 0.00 N ATOM 321 CA THR A 22 -11.335 13.167 -6.652 1.00 0.00 C ATOM 322 C THR A 22 -11.355 12.319 -7.918 1.00 0.00 C ATOM 323 O THR A 22 -12.367 11.760 -8.292 1.00 0.00 O ATOM 324 CB THR A 22 -10.635 14.500 -6.916 1.00 0.00 C ATOM 325 OG1 THR A 22 -9.244 14.273 -7.100 1.00 0.00 O ATOM 326 CG2 THR A 22 -10.850 15.436 -5.725 1.00 0.00 C ATOM 0 H THR A 22 -9.630 12.123 -5.887 1.00 0.00 H new ATOM 0 HA THR A 22 -12.375 13.293 -6.350 1.00 0.00 H new ATOM 0 HB THR A 22 -11.050 14.959 -7.813 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.793 15.126 -7.271 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.351 16.386 -5.914 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.917 15.608 -5.586 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.436 14.981 -4.825 1.00 0.00 H new ATOM 334 N ASP A 23 -10.249 12.236 -8.587 1.00 0.00 N ATOM 335 CA ASP A 23 -10.191 11.443 -9.842 1.00 0.00 C ATOM 336 C ASP A 23 -8.734 11.125 -10.174 1.00 0.00 C ATOM 337 O ASP A 23 -7.844 11.904 -9.901 1.00 0.00 O ATOM 338 CB ASP A 23 -10.814 12.362 -10.891 1.00 0.00 C ATOM 339 CG ASP A 23 -10.395 11.911 -12.292 1.00 0.00 C ATOM 340 OD1 ASP A 23 -10.957 10.941 -12.774 1.00 0.00 O ATOM 341 OD2 ASP A 23 -9.518 12.543 -12.860 1.00 0.00 O ATOM 0 H ASP A 23 -9.374 12.686 -8.319 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.713 10.488 -9.781 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.900 12.345 -10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.497 13.391 -10.720 1.00 0.00 H new ATOM 346 N GLY A 24 -8.476 9.979 -10.735 1.00 0.00 N ATOM 347 CA GLY A 24 -7.068 9.621 -11.047 1.00 0.00 C ATOM 348 C GLY A 24 -6.308 9.459 -9.729 1.00 0.00 C ATOM 349 O GLY A 24 -5.096 9.381 -9.702 1.00 0.00 O ATOM 0 H GLY A 24 -9.174 9.280 -10.989 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.030 8.696 -11.623 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.606 10.396 -11.658 1.00 0.00 H new ATOM 353 N SER A 25 -7.021 9.404 -8.634 1.00 0.00 N ATOM 354 CA SER A 25 -6.356 9.242 -7.311 1.00 0.00 C ATOM 355 C SER A 25 -6.050 7.772 -7.064 1.00 0.00 C ATOM 356 O SER A 25 -6.431 6.912 -7.834 1.00 0.00 O ATOM 357 CB SER A 25 -7.366 9.751 -6.289 1.00 0.00 C ATOM 358 OG SER A 25 -8.363 10.519 -6.949 1.00 0.00 O ATOM 0 H SER A 25 -8.039 9.465 -8.601 1.00 0.00 H new ATOM 0 HA SER A 25 -5.413 9.786 -7.253 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.825 8.912 -5.767 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.863 10.358 -5.536 1.00 0.00 H new ATOM 0 HG SER A 25 -9.251 10.207 -6.675 1.00 0.00 H new ATOM 364 N VAL A 26 -5.366 7.470 -6.001 1.00 0.00 N ATOM 365 CA VAL A 26 -5.043 6.046 -5.727 1.00 0.00 C ATOM 366 C VAL A 26 -4.843 5.813 -4.237 1.00 0.00 C ATOM 367 O VAL A 26 -4.552 6.721 -3.484 1.00 0.00 O ATOM 368 CB VAL A 26 -3.751 5.784 -6.503 1.00 0.00 C ATOM 369 CG1 VAL A 26 -3.102 4.488 -6.018 1.00 0.00 C ATOM 370 CG2 VAL A 26 -4.068 5.667 -7.995 1.00 0.00 C ATOM 0 H VAL A 26 -5.019 8.140 -5.315 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.846 5.375 -6.032 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.062 6.612 -6.337 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.183 4.310 -6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.871 4.572 -4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.789 3.656 -6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.148 5.480 -8.549 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.762 4.842 -8.156 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.520 6.595 -8.345 1.00 0.00 H new ATOM 380 N VAL A 27 -5.020 4.597 -3.804 1.00 0.00 N ATOM 381 CA VAL A 27 -4.864 4.303 -2.357 1.00 0.00 C ATOM 382 C VAL A 27 -4.098 3.014 -2.130 1.00 0.00 C ATOM 383 O VAL A 27 -4.560 1.935 -2.440 1.00 0.00 O ATOM 384 CB VAL A 27 -6.293 4.177 -1.848 1.00 0.00 C ATOM 385 CG1 VAL A 27 -6.339 3.348 -0.560 1.00 0.00 C ATOM 386 CG2 VAL A 27 -6.808 5.570 -1.574 1.00 0.00 C ATOM 0 H VAL A 27 -5.265 3.798 -4.388 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.296 5.077 -1.840 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.909 3.674 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.370 3.271 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.946 2.350 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.734 3.833 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.833 5.513 -1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.180 6.049 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.784 6.154 -2.494 1.00 0.00 H new ATOM 396 N THR A 28 -2.939 3.105 -1.563 1.00 0.00 N ATOM 397 CA THR A 28 -2.187 1.867 -1.296 1.00 0.00 C ATOM 398 C THR A 28 -2.897 1.117 -0.181 1.00 0.00 C ATOM 399 O THR A 28 -2.807 1.475 0.976 1.00 0.00 O ATOM 400 CB THR A 28 -0.787 2.307 -0.864 1.00 0.00 C ATOM 401 OG1 THR A 28 -0.689 3.723 -0.929 1.00 0.00 O ATOM 402 CG2 THR A 28 0.247 1.676 -1.792 1.00 0.00 C ATOM 0 H THR A 28 -2.485 3.972 -1.276 1.00 0.00 H new ATOM 0 HA THR A 28 -2.122 1.208 -2.162 1.00 0.00 H new ATOM 0 HB THR A 28 -0.603 1.984 0.160 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.208 4.002 -0.650 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.247 1.987 -1.488 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.172 0.590 -1.736 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.062 2.000 -2.816 1.00 0.00 H new ATOM 410 N TYR A 29 -3.624 0.095 -0.517 1.00 0.00 N ATOM 411 CA TYR A 29 -4.361 -0.648 0.537 1.00 0.00 C ATOM 412 C TYR A 29 -3.366 -1.378 1.441 1.00 0.00 C ATOM 413 O TYR A 29 -2.908 -2.455 1.117 1.00 0.00 O ATOM 414 CB TYR A 29 -5.213 -1.684 -0.205 1.00 0.00 C ATOM 415 CG TYR A 29 -6.580 -1.141 -0.541 1.00 0.00 C ATOM 416 CD1 TYR A 29 -7.210 -0.198 0.281 1.00 0.00 C ATOM 417 CD2 TYR A 29 -7.217 -1.593 -1.698 1.00 0.00 C ATOM 418 CE1 TYR A 29 -8.477 0.287 -0.060 1.00 0.00 C ATOM 419 CE2 TYR A 29 -8.481 -1.110 -2.040 1.00 0.00 C ATOM 420 CZ TYR A 29 -9.112 -0.168 -1.221 1.00 0.00 C ATOM 421 OH TYR A 29 -10.361 0.309 -1.558 1.00 0.00 O ATOM 0 H TYR A 29 -3.740 -0.257 -1.467 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.965 0.019 1.153 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.705 -1.985 -1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.317 -2.578 0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.719 0.154 1.176 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.730 -2.320 -2.331 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.965 1.013 0.573 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.971 -1.463 -2.935 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.939 0.300 -0.767 1.00 0.00 H new ATOM 431 N SER A 30 -3.023 -0.819 2.567 1.00 0.00 N ATOM 432 CA SER A 30 -2.056 -1.523 3.457 1.00 0.00 C ATOM 433 C SER A 30 -2.718 -2.759 4.066 1.00 0.00 C ATOM 434 O SER A 30 -3.868 -2.733 4.457 1.00 0.00 O ATOM 435 CB SER A 30 -1.683 -0.525 4.551 1.00 0.00 C ATOM 436 OG SER A 30 -2.242 0.744 4.250 1.00 0.00 O ATOM 0 H SER A 30 -3.363 0.080 2.907 1.00 0.00 H new ATOM 0 HA SER A 30 -1.174 -1.857 2.911 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.049 -0.875 5.516 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.599 -0.446 4.631 1.00 0.00 H new ATOM 0 HG SER A 30 -1.822 1.103 3.441 1.00 0.00 H new ATOM 442 N CYS A 31 -1.997 -3.840 4.152 1.00 0.00 N ATOM 443 CA CYS A 31 -2.580 -5.081 4.738 1.00 0.00 C ATOM 444 C CYS A 31 -1.962 -5.341 6.113 1.00 0.00 C ATOM 445 O CYS A 31 -0.849 -4.938 6.387 1.00 0.00 O ATOM 446 CB CYS A 31 -2.207 -6.204 3.765 1.00 0.00 C ATOM 447 SG CYS A 31 -2.528 -5.676 2.062 1.00 0.00 S ATOM 0 H CYS A 31 -1.028 -3.920 3.842 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.659 -5.008 4.872 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.155 -6.464 3.882 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.784 -7.100 3.992 1.00 0.00 H new ATOM 452 N ASN A 32 -2.670 -6.008 6.980 1.00 0.00 N ATOM 453 CA ASN A 32 -2.110 -6.287 8.333 1.00 0.00 C ATOM 454 C ASN A 32 -0.655 -6.741 8.209 1.00 0.00 C ATOM 455 O ASN A 32 -0.299 -7.476 7.309 1.00 0.00 O ATOM 456 CB ASN A 32 -2.979 -7.409 8.903 1.00 0.00 C ATOM 457 CG ASN A 32 -3.869 -6.849 10.013 1.00 0.00 C ATOM 458 OD1 ASN A 32 -5.035 -6.583 9.796 1.00 0.00 O ATOM 459 ND2 ASN A 32 -3.367 -6.656 11.202 1.00 0.00 N ATOM 0 H ASN A 32 -3.608 -6.371 6.813 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.118 -5.407 8.976 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.593 -7.844 8.115 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.350 -8.208 9.295 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.953 -6.282 11.948 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.389 -6.879 11.385 1.00 0.00 H new ATOM 466 N SER A 33 0.191 -6.310 9.104 1.00 0.00 N ATOM 467 CA SER A 33 1.622 -6.720 9.031 1.00 0.00 C ATOM 468 C SER A 33 1.728 -8.244 8.938 1.00 0.00 C ATOM 469 O SER A 33 1.662 -8.942 9.930 1.00 0.00 O ATOM 470 CB SER A 33 2.245 -6.215 10.331 1.00 0.00 C ATOM 471 OG SER A 33 1.730 -6.966 11.423 1.00 0.00 O ATOM 0 H SER A 33 -0.046 -5.693 9.881 1.00 0.00 H new ATOM 0 HA SER A 33 2.126 -6.313 8.155 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.330 -6.311 10.289 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.023 -5.156 10.466 1.00 0.00 H new ATOM 0 HG SER A 33 1.941 -7.915 11.296 1.00 0.00 H new ATOM 477 N GLY A 34 1.893 -8.765 7.752 1.00 0.00 N ATOM 478 CA GLY A 34 2.003 -10.243 7.601 1.00 0.00 C ATOM 479 C GLY A 34 1.124 -10.715 6.440 1.00 0.00 C ATOM 480 O GLY A 34 1.082 -11.886 6.120 1.00 0.00 O ATOM 0 H GLY A 34 1.956 -8.232 6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.041 -10.523 7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.697 -10.735 8.524 1.00 0.00 H new ATOM 484 N TYR A 35 0.416 -9.817 5.807 1.00 0.00 N ATOM 485 CA TYR A 35 -0.458 -10.230 4.672 1.00 0.00 C ATOM 486 C TYR A 35 0.157 -9.795 3.338 1.00 0.00 C ATOM 487 O TYR A 35 1.014 -8.936 3.288 1.00 0.00 O ATOM 488 CB TYR A 35 -1.789 -9.519 4.914 1.00 0.00 C ATOM 489 CG TYR A 35 -2.810 -10.522 5.396 1.00 0.00 C ATOM 490 CD1 TYR A 35 -2.411 -11.592 6.207 1.00 0.00 C ATOM 491 CD2 TYR A 35 -4.154 -10.385 5.030 1.00 0.00 C ATOM 492 CE1 TYR A 35 -3.357 -12.523 6.653 1.00 0.00 C ATOM 493 CE2 TYR A 35 -5.100 -11.316 5.476 1.00 0.00 C ATOM 494 CZ TYR A 35 -4.701 -12.386 6.287 1.00 0.00 C ATOM 495 OH TYR A 35 -5.633 -13.304 6.727 1.00 0.00 O ATOM 0 H TYR A 35 0.405 -8.821 6.026 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.581 -11.312 4.620 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.663 -8.728 5.653 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.134 -9.045 3.995 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.374 -11.699 6.488 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.462 -9.561 4.403 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.049 -13.347 7.280 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.137 -11.209 5.195 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.518 -13.062 6.383 1.00 0.00 H new ATOM 505 N SER A 36 -0.269 -10.394 2.258 1.00 0.00 N ATOM 506 CA SER A 36 0.294 -10.032 0.923 1.00 0.00 C ATOM 507 C SER A 36 -0.669 -9.137 0.149 1.00 0.00 C ATOM 508 O SER A 36 -1.837 -9.441 0.005 1.00 0.00 O ATOM 509 CB SER A 36 0.460 -11.367 0.209 1.00 0.00 C ATOM 510 OG SER A 36 0.731 -12.364 1.180 1.00 0.00 O ATOM 0 H SER A 36 -0.985 -11.121 2.242 1.00 0.00 H new ATOM 0 HA SER A 36 1.229 -9.478 1.008 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.444 -11.615 -0.347 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.273 -11.311 -0.515 1.00 0.00 H new ATOM 0 HG SER A 36 1.479 -12.077 1.744 1.00 0.00 H new ATOM 516 N LEU A 37 -0.185 -8.042 -0.367 1.00 0.00 N ATOM 517 CA LEU A 37 -1.074 -7.144 -1.148 1.00 0.00 C ATOM 518 C LEU A 37 -1.059 -7.570 -2.615 1.00 0.00 C ATOM 519 O LEU A 37 -0.025 -7.598 -3.251 1.00 0.00 O ATOM 520 CB LEU A 37 -0.490 -5.742 -0.987 1.00 0.00 C ATOM 521 CG LEU A 37 -1.322 -4.754 -1.808 1.00 0.00 C ATOM 522 CD1 LEU A 37 -2.410 -4.139 -0.926 1.00 0.00 C ATOM 523 CD2 LEU A 37 -0.415 -3.643 -2.343 1.00 0.00 C ATOM 0 H LEU A 37 0.783 -7.733 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.108 -7.180 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.492 -5.453 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.548 -5.727 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.786 -5.281 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.001 -3.436 -1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.058 -4.928 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.947 -3.614 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.008 -2.939 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.050 -3.119 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.359 -4.078 -2.975 1.00 0.00 H new ATOM 535 N ILE A 38 -2.193 -7.914 -3.157 1.00 0.00 N ATOM 536 CA ILE A 38 -2.226 -8.349 -4.587 1.00 0.00 C ATOM 537 C ILE A 38 -3.104 -7.397 -5.400 1.00 0.00 C ATOM 538 O ILE A 38 -4.124 -6.939 -4.946 1.00 0.00 O ATOM 539 CB ILE A 38 -2.824 -9.768 -4.602 1.00 0.00 C ATOM 540 CG1 ILE A 38 -2.743 -10.420 -3.215 1.00 0.00 C ATOM 541 CG2 ILE A 38 -2.048 -10.631 -5.589 1.00 0.00 C ATOM 542 CD1 ILE A 38 -1.280 -10.722 -2.874 1.00 0.00 C ATOM 0 H ILE A 38 -3.094 -7.914 -2.679 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.229 -8.341 -5.027 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.871 -9.691 -4.895 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.172 -9.756 -2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.328 -11.340 -3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.469 -11.636 -5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.117 -10.196 -6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.002 -10.679 -5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.224 -11.185 -1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.866 -11.402 -3.618 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.708 -9.794 -2.872 1.00 0.00 H new ATOM 554 N GLY A 39 -2.721 -7.094 -6.602 1.00 0.00 N ATOM 555 CA GLY A 39 -3.551 -6.170 -7.422 1.00 0.00 C ATOM 556 C GLY A 39 -2.928 -4.777 -7.416 1.00 0.00 C ATOM 557 O GLY A 39 -3.609 -3.783 -7.258 1.00 0.00 O ATOM 0 H GLY A 39 -1.875 -7.442 -7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.624 -6.542 -8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.565 -6.127 -7.025 1.00 0.00 H new ATOM 561 N ASN A 40 -1.638 -4.699 -7.581 1.00 0.00 N ATOM 562 CA ASN A 40 -0.955 -3.372 -7.577 1.00 0.00 C ATOM 563 C ASN A 40 -0.928 -2.808 -6.155 1.00 0.00 C ATOM 564 O ASN A 40 -1.570 -3.324 -5.261 1.00 0.00 O ATOM 565 CB ASN A 40 -1.787 -2.475 -8.497 1.00 0.00 C ATOM 566 CG ASN A 40 -0.920 -1.324 -9.006 1.00 0.00 C ATOM 567 OD1 ASN A 40 -0.305 -1.426 -10.049 1.00 0.00 O ATOM 568 ND2 ASN A 40 -0.843 -0.225 -8.307 1.00 0.00 N ATOM 0 H ASN A 40 -1.022 -5.500 -7.719 1.00 0.00 H new ATOM 0 HA ASN A 40 0.078 -3.441 -7.919 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.171 -3.054 -9.337 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.650 -2.084 -7.958 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.266 0.549 -8.636 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.360 -0.140 -7.432 1.00 0.00 H new ATOM 575 N SER A 41 -0.187 -1.759 -5.936 1.00 0.00 N ATOM 576 CA SER A 41 -0.119 -1.171 -4.569 1.00 0.00 C ATOM 577 C SER A 41 -0.779 0.208 -4.547 1.00 0.00 C ATOM 578 O SER A 41 -0.138 1.208 -4.290 1.00 0.00 O ATOM 579 CB SER A 41 1.374 -1.058 -4.267 1.00 0.00 C ATOM 580 OG SER A 41 2.066 -2.111 -4.926 1.00 0.00 O ATOM 0 H SER A 41 0.374 -1.283 -6.643 1.00 0.00 H new ATOM 0 HA SER A 41 -0.642 -1.779 -3.831 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.753 -0.092 -4.602 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.545 -1.112 -3.192 1.00 0.00 H new ATOM 0 HG SER A 41 3.025 -2.041 -4.736 1.00 0.00 H new ATOM 586 N GLY A 42 -2.055 0.274 -4.814 1.00 0.00 N ATOM 587 CA GLY A 42 -2.743 1.596 -4.802 1.00 0.00 C ATOM 588 C GLY A 42 -4.049 1.522 -5.595 1.00 0.00 C ATOM 589 O GLY A 42 -4.041 1.358 -6.799 1.00 0.00 O ATOM 0 H GLY A 42 -2.648 -0.525 -5.039 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.950 1.897 -3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.091 2.357 -5.232 1.00 0.00 H new ATOM 593 N VAL A 43 -5.173 1.666 -4.941 1.00 0.00 N ATOM 594 CA VAL A 43 -6.462 1.628 -5.698 1.00 0.00 C ATOM 595 C VAL A 43 -6.451 2.770 -6.708 1.00 0.00 C ATOM 596 O VAL A 43 -5.498 3.515 -6.782 1.00 0.00 O ATOM 597 CB VAL A 43 -7.609 1.855 -4.702 1.00 0.00 C ATOM 598 CG1 VAL A 43 -8.847 1.116 -5.207 1.00 0.00 C ATOM 599 CG2 VAL A 43 -7.260 1.326 -3.314 1.00 0.00 C ATOM 0 H VAL A 43 -5.256 1.806 -3.934 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.589 0.673 -6.208 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.790 2.927 -4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.671 1.268 -4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.126 1.501 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.629 0.051 -5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.095 1.504 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.061 0.256 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.374 1.840 -2.941 1.00 0.00 H new ATOM 609 N LEU A 44 -7.496 2.938 -7.471 1.00 0.00 N ATOM 610 CA LEU A 44 -7.512 4.066 -8.448 1.00 0.00 C ATOM 611 C LEU A 44 -8.918 4.655 -8.564 1.00 0.00 C ATOM 612 O LEU A 44 -9.777 4.111 -9.230 1.00 0.00 O ATOM 613 CB LEU A 44 -7.070 3.463 -9.786 1.00 0.00 C ATOM 614 CG LEU A 44 -7.352 4.456 -10.922 1.00 0.00 C ATOM 615 CD1 LEU A 44 -6.062 5.173 -11.317 1.00 0.00 C ATOM 616 CD2 LEU A 44 -7.901 3.700 -12.134 1.00 0.00 C ATOM 0 H LEU A 44 -8.331 2.352 -7.462 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.854 4.877 -8.136 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.007 3.225 -9.754 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.601 2.528 -9.967 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.083 5.190 -10.583 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.269 5.876 -12.124 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.668 5.714 -10.456 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.327 4.441 -11.653 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.102 4.404 -12.942 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.168 2.965 -12.467 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.825 3.192 -11.858 1.00 0.00 H new ATOM 628 N CYS A 45 -9.151 5.779 -7.944 1.00 0.00 N ATOM 629 CA CYS A 45 -10.496 6.412 -8.049 1.00 0.00 C ATOM 630 C CYS A 45 -10.552 7.270 -9.310 1.00 0.00 C ATOM 631 O CYS A 45 -9.859 8.263 -9.428 1.00 0.00 O ATOM 632 CB CYS A 45 -10.644 7.287 -6.807 1.00 0.00 C ATOM 633 SG CYS A 45 -12.363 7.231 -6.243 1.00 0.00 S ATOM 0 H CYS A 45 -8.473 6.284 -7.373 1.00 0.00 H new ATOM 0 HA CYS A 45 -11.295 5.673 -8.109 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -9.978 6.936 -6.019 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -10.356 8.314 -7.034 1.00 0.00 H new ATOM 638 N SER A 46 -11.362 6.895 -10.256 1.00 0.00 N ATOM 639 CA SER A 46 -11.448 7.694 -11.511 1.00 0.00 C ATOM 640 C SER A 46 -12.909 8.013 -11.846 1.00 0.00 C ATOM 641 O SER A 46 -13.779 7.173 -11.735 1.00 0.00 O ATOM 642 CB SER A 46 -10.834 6.804 -12.591 1.00 0.00 C ATOM 643 OG SER A 46 -11.599 5.613 -12.709 1.00 0.00 O ATOM 0 H SER A 46 -11.967 6.074 -10.218 1.00 0.00 H new ATOM 0 HA SER A 46 -10.930 8.649 -11.424 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.812 7.332 -13.544 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.802 6.563 -12.336 1.00 0.00 H new ATOM 0 HG SER A 46 -11.209 5.041 -13.402 1.00 0.00 H new ATOM 649 N GLY A 47 -13.182 9.221 -12.259 1.00 0.00 N ATOM 650 CA GLY A 47 -14.583 9.595 -12.606 1.00 0.00 C ATOM 651 C GLY A 47 -15.455 9.562 -11.348 1.00 0.00 C ATOM 652 O GLY A 47 -16.663 9.672 -11.417 1.00 0.00 O ATOM 0 H GLY A 47 -12.494 9.966 -12.371 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.604 10.591 -13.048 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.979 8.906 -13.352 1.00 0.00 H new ATOM 656 N GLY A 48 -14.855 9.412 -10.200 1.00 0.00 N ATOM 657 CA GLY A 48 -15.654 9.373 -8.943 1.00 0.00 C ATOM 658 C GLY A 48 -15.979 7.920 -8.591 1.00 0.00 C ATOM 659 O GLY A 48 -16.986 7.628 -7.976 1.00 0.00 O ATOM 0 H GLY A 48 -13.847 9.315 -10.078 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.097 9.839 -8.131 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.575 9.943 -9.067 1.00 0.00 H new ATOM 663 N GLU A 49 -15.130 7.007 -8.977 1.00 0.00 N ATOM 664 CA GLU A 49 -15.383 5.570 -8.666 1.00 0.00 C ATOM 665 C GLU A 49 -14.061 4.846 -8.418 1.00 0.00 C ATOM 666 O GLU A 49 -13.105 5.011 -9.150 1.00 0.00 O ATOM 667 CB GLU A 49 -16.069 5.007 -9.910 1.00 0.00 C ATOM 668 CG GLU A 49 -17.562 4.825 -9.633 1.00 0.00 C ATOM 669 CD GLU A 49 -18.038 3.507 -10.247 1.00 0.00 C ATOM 670 OE1 GLU A 49 -17.451 2.484 -9.934 1.00 0.00 O ATOM 671 OE2 GLU A 49 -18.982 3.543 -11.020 1.00 0.00 O ATOM 0 H GLU A 49 -14.271 7.194 -9.495 1.00 0.00 H new ATOM 0 HA GLU A 49 -15.993 5.444 -7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -15.925 5.681 -10.754 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.621 4.052 -10.185 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -17.746 4.825 -8.559 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -18.125 5.658 -10.053 1.00 0.00 H new ATOM 678 N TRP A 50 -13.997 4.042 -7.394 1.00 0.00 N ATOM 679 CA TRP A 50 -12.734 3.308 -7.109 1.00 0.00 C ATOM 680 C TRP A 50 -12.633 2.079 -8.008 1.00 0.00 C ATOM 681 O TRP A 50 -13.603 1.383 -8.235 1.00 0.00 O ATOM 682 CB TRP A 50 -12.832 2.901 -5.639 1.00 0.00 C ATOM 683 CG TRP A 50 -12.594 4.106 -4.796 1.00 0.00 C ATOM 684 CD1 TRP A 50 -13.546 4.781 -4.116 1.00 0.00 C ATOM 685 CD2 TRP A 50 -11.339 4.798 -4.547 1.00 0.00 C ATOM 686 NE1 TRP A 50 -12.956 5.849 -3.466 1.00 0.00 N ATOM 687 CE2 TRP A 50 -11.596 5.901 -3.701 1.00 0.00 C ATOM 688 CE3 TRP A 50 -10.016 4.577 -4.969 1.00 0.00 C ATOM 689 CZ2 TRP A 50 -10.579 6.758 -3.290 1.00 0.00 C ATOM 690 CZ3 TRP A 50 -8.987 5.436 -4.557 1.00 0.00 C ATOM 691 CH2 TRP A 50 -9.267 6.525 -3.720 1.00 0.00 C ATOM 0 H TRP A 50 -14.762 3.862 -6.744 1.00 0.00 H new ATOM 0 HA TRP A 50 -11.848 3.914 -7.299 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -13.815 2.479 -5.428 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -12.098 2.128 -5.411 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -14.595 4.528 -4.085 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -13.463 6.516 -2.884 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -9.791 3.741 -5.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -10.800 7.596 -2.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -7.974 5.258 -4.886 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.471 7.184 -3.407 1.00 0.00 H new ATOM 702 N SER A 51 -11.471 1.813 -8.533 1.00 0.00 N ATOM 703 CA SER A 51 -11.323 0.634 -9.427 1.00 0.00 C ATOM 704 C SER A 51 -9.981 -0.066 -9.199 1.00 0.00 C ATOM 705 O SER A 51 -9.075 0.471 -8.588 1.00 0.00 O ATOM 706 CB SER A 51 -11.389 1.209 -10.840 1.00 0.00 C ATOM 707 OG SER A 51 -12.340 2.264 -10.871 1.00 0.00 O ATOM 0 H SER A 51 -10.622 2.358 -8.383 1.00 0.00 H new ATOM 0 HA SER A 51 -12.094 -0.114 -9.243 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.409 1.578 -11.141 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.669 0.430 -11.550 1.00 0.00 H new ATOM 0 HG SER A 51 -12.385 2.637 -11.776 1.00 0.00 H new ATOM 713 N ASP A 52 -9.860 -1.263 -9.703 1.00 0.00 N ATOM 714 CA ASP A 52 -8.597 -2.042 -9.555 1.00 0.00 C ATOM 715 C ASP A 52 -8.027 -1.937 -8.140 1.00 0.00 C ATOM 716 O ASP A 52 -6.945 -1.424 -7.935 1.00 0.00 O ATOM 717 CB ASP A 52 -7.631 -1.434 -10.572 1.00 0.00 C ATOM 718 CG ASP A 52 -6.777 -2.541 -11.193 1.00 0.00 C ATOM 719 OD1 ASP A 52 -5.970 -3.111 -10.477 1.00 0.00 O ATOM 720 OD2 ASP A 52 -6.943 -2.798 -12.374 1.00 0.00 O ATOM 0 H ASP A 52 -10.596 -1.743 -10.221 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.767 -3.105 -9.728 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.187 -0.910 -11.349 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.992 -0.697 -10.086 1.00 0.00 H new ATOM 725 N PRO A 53 -8.775 -2.465 -7.217 1.00 0.00 N ATOM 726 CA PRO A 53 -8.364 -2.488 -5.805 1.00 0.00 C ATOM 727 C PRO A 53 -7.619 -3.791 -5.518 1.00 0.00 C ATOM 728 O PRO A 53 -8.127 -4.864 -5.779 1.00 0.00 O ATOM 729 CB PRO A 53 -9.690 -2.463 -5.061 1.00 0.00 C ATOM 730 CG PRO A 53 -10.702 -3.038 -6.020 1.00 0.00 C ATOM 731 CD PRO A 53 -10.078 -3.082 -7.402 1.00 0.00 C ATOM 0 HA PRO A 53 -7.702 -1.670 -5.523 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.638 -3.053 -4.146 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -9.958 -1.447 -4.771 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.998 -4.039 -5.705 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.605 -2.427 -6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.987 -4.105 -7.767 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.679 -2.536 -8.129 1.00 0.00 H new ATOM 739 N PRO A 54 -6.438 -3.659 -4.998 1.00 0.00 N ATOM 740 CA PRO A 54 -5.619 -4.852 -4.681 1.00 0.00 C ATOM 741 C PRO A 54 -6.204 -5.610 -3.486 1.00 0.00 C ATOM 742 O PRO A 54 -7.240 -5.261 -2.956 1.00 0.00 O ATOM 743 CB PRO A 54 -4.246 -4.270 -4.367 1.00 0.00 C ATOM 744 CG PRO A 54 -4.514 -2.862 -3.932 1.00 0.00 C ATOM 745 CD PRO A 54 -5.757 -2.406 -4.656 1.00 0.00 C ATOM 0 HA PRO A 54 -5.583 -5.579 -5.492 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.747 -4.838 -3.582 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.596 -4.296 -5.242 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.656 -2.812 -2.852 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.669 -2.217 -4.172 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.379 -1.772 -4.024 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.512 -1.827 -5.546 1.00 0.00 H new ATOM 753 N THR A 55 -5.555 -6.665 -3.087 1.00 0.00 N ATOM 754 CA THR A 55 -6.062 -7.490 -1.956 1.00 0.00 C ATOM 755 C THR A 55 -5.057 -7.536 -0.812 1.00 0.00 C ATOM 756 O THR A 55 -4.073 -6.828 -0.796 1.00 0.00 O ATOM 757 CB THR A 55 -6.198 -8.891 -2.549 1.00 0.00 C ATOM 758 OG1 THR A 55 -5.066 -9.159 -3.358 1.00 0.00 O ATOM 759 CG2 THR A 55 -7.456 -8.972 -3.403 1.00 0.00 C ATOM 0 H THR A 55 -4.684 -6.996 -3.501 1.00 0.00 H new ATOM 0 HA THR A 55 -6.991 -7.089 -1.551 1.00 0.00 H new ATOM 0 HB THR A 55 -6.265 -9.622 -1.743 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.318 -9.770 -4.082 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.547 -9.974 -3.823 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.329 -8.756 -2.787 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.394 -8.244 -4.212 1.00 0.00 H new ATOM 767 N CYS A 56 -5.303 -8.403 0.127 1.00 0.00 N ATOM 768 CA CYS A 56 -4.384 -8.577 1.284 1.00 0.00 C ATOM 769 C CYS A 56 -4.518 -10.010 1.769 1.00 0.00 C ATOM 770 O CYS A 56 -5.320 -10.319 2.628 1.00 0.00 O ATOM 771 CB CYS A 56 -4.865 -7.594 2.352 1.00 0.00 C ATOM 772 SG CYS A 56 -4.524 -5.895 1.825 1.00 0.00 S ATOM 0 H CYS A 56 -6.121 -9.012 0.141 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.339 -8.389 1.038 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.934 -7.723 2.523 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.364 -7.798 3.298 1.00 0.00 H new ATOM 777 N GLN A 57 -3.770 -10.895 1.187 1.00 0.00 N ATOM 778 CA GLN A 57 -3.886 -12.324 1.570 1.00 0.00 C ATOM 779 C GLN A 57 -2.628 -12.801 2.306 1.00 0.00 C ATOM 780 O GLN A 57 -2.065 -12.094 3.118 1.00 0.00 O ATOM 781 CB GLN A 57 -4.053 -13.078 0.244 1.00 0.00 C ATOM 782 CG GLN A 57 -4.658 -12.166 -0.832 1.00 0.00 C ATOM 783 CD GLN A 57 -5.166 -13.015 -1.997 1.00 0.00 C ATOM 784 OE1 GLN A 57 -4.459 -13.869 -2.495 1.00 0.00 O ATOM 785 NE2 GLN A 57 -6.370 -12.814 -2.459 1.00 0.00 N ATOM 0 H GLN A 57 -3.082 -10.692 0.462 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.721 -12.494 2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.085 -13.451 -0.092 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.695 -13.946 0.393 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.476 -11.582 -0.410 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.909 -11.457 -1.185 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.964 -12.097 -2.041 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.717 -13.374 -3.238 1.00 0.00 H new ATOM 794 N ILE A 58 -2.181 -13.995 2.016 1.00 0.00 N ATOM 795 CA ILE A 58 -0.959 -14.533 2.672 1.00 0.00 C ATOM 796 C ILE A 58 -0.213 -15.332 1.620 1.00 0.00 C ATOM 797 O ILE A 58 -0.242 -16.546 1.604 1.00 0.00 O ATOM 798 CB ILE A 58 -1.418 -15.454 3.820 1.00 0.00 C ATOM 799 CG1 ILE A 58 -2.945 -15.419 3.982 1.00 0.00 C ATOM 800 CG2 ILE A 58 -0.766 -14.999 5.125 1.00 0.00 C ATOM 801 CD1 ILE A 58 -3.600 -16.169 2.820 1.00 0.00 C ATOM 0 H ILE A 58 -2.618 -14.626 1.344 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.315 -13.750 3.072 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.118 -16.474 3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.231 -15.875 4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.295 -14.387 4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.089 -15.648 5.939 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.318 -15.051 5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.062 -13.972 5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.684 -16.144 2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.324 -15.694 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.259 -17.204 2.817 1.00 0.00 H new ATOM 813 N VAL A 59 0.421 -14.655 0.714 1.00 0.00 N ATOM 814 CA VAL A 59 1.128 -15.369 -0.368 1.00 0.00 C ATOM 815 C VAL A 59 2.331 -16.115 0.179 1.00 0.00 C ATOM 816 O VAL A 59 3.194 -15.570 0.837 1.00 0.00 O ATOM 817 CB VAL A 59 1.573 -14.305 -1.372 1.00 0.00 C ATOM 818 CG1 VAL A 59 0.406 -13.372 -1.713 1.00 0.00 C ATOM 819 CG2 VAL A 59 2.725 -13.496 -0.789 1.00 0.00 C ATOM 0 H VAL A 59 0.479 -13.637 0.677 1.00 0.00 H new ATOM 0 HA VAL A 59 0.478 -16.108 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 59 1.904 -14.801 -2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.738 -12.620 -2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.408 -13.952 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.057 -12.880 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.039 -12.739 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.399 -13.010 0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.562 -14.159 -0.572 1.00 0.00 H new ATOM 829 N LYS A 60 2.388 -17.365 -0.105 1.00 0.00 N ATOM 830 CA LYS A 60 3.536 -18.180 0.353 1.00 0.00 C ATOM 831 C LYS A 60 3.800 -19.258 -0.699 1.00 0.00 C ATOM 832 O LYS A 60 3.181 -20.303 -0.704 1.00 0.00 O ATOM 833 CB LYS A 60 3.101 -18.795 1.684 1.00 0.00 C ATOM 834 CG LYS A 60 2.918 -17.686 2.723 1.00 0.00 C ATOM 835 CD LYS A 60 2.414 -18.292 4.035 1.00 0.00 C ATOM 836 CE LYS A 60 3.360 -19.409 4.479 1.00 0.00 C ATOM 837 NZ LYS A 60 3.440 -19.277 5.960 1.00 0.00 N ATOM 0 H LYS A 60 1.684 -17.872 -0.641 1.00 0.00 H new ATOM 0 HA LYS A 60 4.453 -17.605 0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.169 -19.345 1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.848 -19.510 2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.863 -17.169 2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.209 -16.944 2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.357 -17.522 4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.406 -18.686 3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.978 -20.388 4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.342 -19.301 4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.072 -20.010 6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.813 -18.338 6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.491 -19.391 6.370 1.00 0.00 H new ATOM 851 N CYS A 61 4.684 -18.987 -1.614 1.00 0.00 N ATOM 852 CA CYS A 61 4.961 -19.966 -2.704 1.00 0.00 C ATOM 853 C CYS A 61 5.665 -21.215 -2.177 1.00 0.00 C ATOM 854 O CYS A 61 6.209 -21.222 -1.091 1.00 0.00 O ATOM 855 CB CYS A 61 5.860 -19.212 -3.681 1.00 0.00 C ATOM 856 SG CYS A 61 5.122 -17.603 -4.047 1.00 0.00 S ATOM 0 H CYS A 61 5.230 -18.127 -1.656 1.00 0.00 H new ATOM 0 HA CYS A 61 4.041 -20.320 -3.169 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.854 -19.081 -3.252 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.982 -19.787 -4.599 1.00 0.00 H new ATOM 861 N PRO A 62 5.616 -22.236 -2.988 1.00 0.00 N ATOM 862 CA PRO A 62 6.240 -23.534 -2.640 1.00 0.00 C ATOM 863 C PRO A 62 7.765 -23.439 -2.726 1.00 0.00 C ATOM 864 O PRO A 62 8.433 -23.110 -1.769 1.00 0.00 O ATOM 865 CB PRO A 62 5.700 -24.483 -3.709 1.00 0.00 C ATOM 866 CG PRO A 62 5.354 -23.609 -4.869 1.00 0.00 C ATOM 867 CD PRO A 62 4.973 -22.267 -4.308 1.00 0.00 C ATOM 0 HA PRO A 62 6.013 -23.859 -1.625 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.445 -25.229 -3.986 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.825 -25.025 -3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.201 -23.517 -5.549 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.531 -24.036 -5.442 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.326 -21.454 -4.943 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.891 -22.161 -4.227 1.00 0.00 H new ATOM 875 N HIS A 63 8.310 -23.732 -3.872 1.00 0.00 N ATOM 876 CA HIS A 63 9.784 -23.673 -4.052 1.00 0.00 C ATOM 877 C HIS A 63 10.092 -23.694 -5.544 1.00 0.00 C ATOM 878 O HIS A 63 9.593 -24.537 -6.264 1.00 0.00 O ATOM 879 CB HIS A 63 10.311 -24.943 -3.391 1.00 0.00 C ATOM 880 CG HIS A 63 11.236 -24.591 -2.256 1.00 0.00 C ATOM 881 ND1 HIS A 63 12.386 -25.318 -1.988 1.00 0.00 N ATOM 882 CD2 HIS A 63 11.194 -23.598 -1.311 1.00 0.00 C ATOM 883 CE1 HIS A 63 12.983 -24.756 -0.922 1.00 0.00 C ATOM 884 NE2 HIS A 63 12.298 -23.702 -0.470 1.00 0.00 N ATOM 0 H HIS A 63 7.789 -24.014 -4.702 1.00 0.00 H new ATOM 0 HA HIS A 63 10.233 -22.777 -3.623 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.479 -25.541 -3.020 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.839 -25.552 -4.125 1.00 0.00 H new ATOM 0 HD1 HIS A 63 12.719 -26.132 -2.506 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.421 -22.848 -1.231 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.904 -25.113 -0.485 1.00 0.00 H new ATOM 892 N PRO A 64 10.892 -22.766 -5.972 1.00 0.00 N ATOM 893 CA PRO A 64 11.240 -22.698 -7.401 1.00 0.00 C ATOM 894 C PRO A 64 12.278 -23.768 -7.727 1.00 0.00 C ATOM 895 O PRO A 64 13.406 -23.475 -8.072 1.00 0.00 O ATOM 896 CB PRO A 64 11.820 -21.305 -7.562 1.00 0.00 C ATOM 897 CG PRO A 64 12.341 -20.935 -6.207 1.00 0.00 C ATOM 898 CD PRO A 64 11.543 -21.711 -5.188 1.00 0.00 C ATOM 0 HA PRO A 64 10.395 -22.873 -8.067 1.00 0.00 H new ATOM 0 HB2 PRO A 64 12.616 -21.294 -8.306 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.060 -20.599 -7.898 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.402 -21.173 -6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.241 -19.863 -6.037 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.185 -22.129 -4.413 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.811 -21.077 -4.688 1.00 0.00 H new ATOM 906 N THR A 65 11.899 -25.007 -7.618 1.00 0.00 N ATOM 907 CA THR A 65 12.859 -26.109 -7.920 1.00 0.00 C ATOM 908 C THR A 65 12.869 -26.369 -9.417 1.00 0.00 C ATOM 909 O THR A 65 12.145 -25.750 -10.169 1.00 0.00 O ATOM 910 CB THR A 65 12.343 -27.357 -7.189 1.00 0.00 C ATOM 911 OG1 THR A 65 11.511 -28.101 -8.067 1.00 0.00 O ATOM 912 CG2 THR A 65 11.544 -26.963 -5.949 1.00 0.00 C ATOM 0 H THR A 65 10.967 -25.308 -7.333 1.00 0.00 H new ATOM 0 HA THR A 65 13.870 -25.854 -7.601 1.00 0.00 H new ATOM 0 HB THR A 65 13.196 -27.960 -6.878 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.180 -28.900 -7.606 1.00 0.00 H new ATOM 0 HG21 THR A 65 11.187 -27.861 -5.445 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.181 -26.396 -5.271 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.692 -26.350 -6.244 1.00 0.00 H new ATOM 920 N ILE A 66 13.672 -27.287 -9.861 1.00 0.00 N ATOM 921 CA ILE A 66 13.701 -27.580 -11.315 1.00 0.00 C ATOM 922 C ILE A 66 14.622 -28.773 -11.593 1.00 0.00 C ATOM 923 O ILE A 66 15.485 -29.105 -10.804 1.00 0.00 O ATOM 924 CB ILE A 66 14.192 -26.283 -12.008 1.00 0.00 C ATOM 925 CG1 ILE A 66 15.129 -26.605 -13.176 1.00 0.00 C ATOM 926 CG2 ILE A 66 14.927 -25.371 -11.023 1.00 0.00 C ATOM 927 CD1 ILE A 66 15.400 -25.320 -13.961 1.00 0.00 C ATOM 0 H ILE A 66 14.305 -27.843 -9.286 1.00 0.00 H new ATOM 0 HA ILE A 66 12.720 -27.859 -11.699 1.00 0.00 H new ATOM 0 HB ILE A 66 13.307 -25.768 -12.382 1.00 0.00 H new ATOM 0 HG12 ILE A 66 16.064 -27.025 -12.805 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.678 -27.356 -13.825 1.00 0.00 H new ATOM 0 HG21 ILE A 66 15.259 -24.470 -11.539 1.00 0.00 H new ATOM 0 HG22 ILE A 66 14.255 -25.097 -10.210 1.00 0.00 H new ATOM 0 HG23 ILE A 66 15.792 -25.896 -10.617 1.00 0.00 H new ATOM 0 HD11 ILE A 66 16.067 -25.537 -14.796 1.00 0.00 H new ATOM 0 HD12 ILE A 66 14.460 -24.921 -14.342 1.00 0.00 H new ATOM 0 HD13 ILE A 66 15.867 -24.585 -13.306 1.00 0.00 H new ATOM 939 N SER A 67 14.433 -29.421 -12.708 1.00 0.00 N ATOM 940 CA SER A 67 15.283 -30.600 -13.046 1.00 0.00 C ATOM 941 C SER A 67 16.742 -30.174 -13.230 1.00 0.00 C ATOM 942 O SER A 67 17.116 -29.643 -14.256 1.00 0.00 O ATOM 943 CB SER A 67 14.710 -31.135 -14.358 1.00 0.00 C ATOM 944 OG SER A 67 13.332 -30.796 -14.442 1.00 0.00 O ATOM 0 H SER A 67 13.725 -29.185 -13.403 1.00 0.00 H new ATOM 0 HA SER A 67 15.274 -31.353 -12.258 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.252 -30.713 -15.204 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.834 -32.217 -14.408 1.00 0.00 H new ATOM 0 HG SER A 67 12.789 -31.607 -14.350 1.00 0.00 H new ATOM 950 N ASN A 68 17.567 -30.410 -12.245 1.00 0.00 N ATOM 951 CA ASN A 68 19.007 -30.027 -12.356 1.00 0.00 C ATOM 952 C ASN A 68 19.152 -28.670 -13.053 1.00 0.00 C ATOM 953 O ASN A 68 19.911 -28.523 -13.989 1.00 0.00 O ATOM 954 CB ASN A 68 19.647 -31.132 -13.198 1.00 0.00 C ATOM 955 CG ASN A 68 19.670 -32.436 -12.397 1.00 0.00 C ATOM 956 OD1 ASN A 68 19.161 -32.496 -11.296 1.00 0.00 O ATOM 957 ND2 ASN A 68 20.244 -33.491 -12.909 1.00 0.00 N ATOM 0 H ASN A 68 17.306 -30.853 -11.364 1.00 0.00 H new ATOM 0 HA ASN A 68 19.480 -29.929 -11.379 1.00 0.00 H new ATOM 0 HB2 ASN A 68 19.086 -31.270 -14.122 1.00 0.00 H new ATOM 0 HB3 ASN A 68 20.661 -30.848 -13.480 1.00 0.00 H new ATOM 0 HD21 ASN A 68 20.265 -34.365 -12.384 1.00 0.00 H new ATOM 0 HD22 ASN A 68 20.672 -33.441 -13.834 1.00 0.00 H new ATOM 964 N GLY A 69 18.433 -27.678 -12.602 1.00 0.00 N ATOM 965 CA GLY A 69 18.534 -26.332 -13.238 1.00 0.00 C ATOM 966 C GLY A 69 18.049 -25.270 -12.252 1.00 0.00 C ATOM 967 O GLY A 69 17.478 -24.268 -12.632 1.00 0.00 O ATOM 0 H GLY A 69 17.780 -27.741 -11.821 1.00 0.00 H new ATOM 0 HA2 GLY A 69 19.565 -26.131 -13.529 1.00 0.00 H new ATOM 0 HA3 GLY A 69 17.934 -26.301 -14.148 1.00 0.00 H new ATOM 971 N TYR A 70 18.258 -25.506 -10.986 1.00 0.00 N ATOM 972 CA TYR A 70 17.812 -24.543 -9.936 1.00 0.00 C ATOM 973 C TYR A 70 18.148 -23.104 -10.281 1.00 0.00 C ATOM 974 O TYR A 70 18.612 -22.777 -11.351 1.00 0.00 O ATOM 975 CB TYR A 70 18.570 -24.934 -8.670 1.00 0.00 C ATOM 976 CG TYR A 70 20.030 -24.545 -8.801 1.00 0.00 C ATOM 977 CD1 TYR A 70 20.844 -25.151 -9.770 1.00 0.00 C ATOM 978 CD2 TYR A 70 20.569 -23.572 -7.949 1.00 0.00 C ATOM 979 CE1 TYR A 70 22.190 -24.784 -9.883 1.00 0.00 C ATOM 980 CE2 TYR A 70 21.915 -23.207 -8.064 1.00 0.00 C ATOM 981 CZ TYR A 70 22.725 -23.812 -9.030 1.00 0.00 C ATOM 982 OH TYR A 70 24.050 -23.449 -9.142 1.00 0.00 O ATOM 0 H TYR A 70 18.726 -26.338 -10.628 1.00 0.00 H new ATOM 0 HA TYR A 70 16.729 -24.593 -9.828 1.00 0.00 H new ATOM 0 HB2 TYR A 70 18.129 -24.439 -7.804 1.00 0.00 H new ATOM 0 HB3 TYR A 70 18.484 -26.007 -8.501 1.00 0.00 H new ATOM 0 HD1 TYR A 70 20.432 -25.901 -10.429 1.00 0.00 H new ATOM 0 HD2 TYR A 70 19.945 -23.103 -7.203 1.00 0.00 H new ATOM 0 HE1 TYR A 70 22.816 -25.251 -10.629 1.00 0.00 H new ATOM 0 HE2 TYR A 70 22.329 -22.457 -7.406 1.00 0.00 H new ATOM 0 HH TYR A 70 24.258 -22.762 -8.475 1.00 0.00 H new ATOM 992 N LEU A 71 17.915 -22.251 -9.338 1.00 0.00 N ATOM 993 CA LEU A 71 18.207 -20.803 -9.538 1.00 0.00 C ATOM 994 C LEU A 71 19.402 -20.370 -8.680 1.00 0.00 C ATOM 995 O LEU A 71 19.850 -21.092 -7.811 1.00 0.00 O ATOM 996 CB LEU A 71 16.911 -20.052 -9.154 1.00 0.00 C ATOM 997 CG LEU A 71 16.349 -20.489 -7.786 1.00 0.00 C ATOM 998 CD1 LEU A 71 15.475 -21.723 -7.969 1.00 0.00 C ATOM 999 CD2 LEU A 71 17.470 -20.798 -6.786 1.00 0.00 C ATOM 0 H LEU A 71 17.530 -22.490 -8.424 1.00 0.00 H new ATOM 0 HA LEU A 71 18.486 -20.581 -10.568 1.00 0.00 H new ATOM 0 HB2 LEU A 71 17.110 -18.980 -9.134 1.00 0.00 H new ATOM 0 HB3 LEU A 71 16.157 -20.222 -9.922 1.00 0.00 H new ATOM 0 HG LEU A 71 15.759 -19.665 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.077 -22.033 -7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.651 -21.489 -8.643 1.00 0.00 H new ATOM 0 HD13 LEU A 71 16.071 -22.531 -8.392 1.00 0.00 H new ATOM 0 HD21 LEU A 71 17.035 -21.102 -5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 71 18.092 -21.604 -7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.081 -19.907 -6.637 1.00 0.00 H new ATOM 1011 N SER A 72 19.929 -19.203 -8.922 1.00 0.00 N ATOM 1012 CA SER A 72 21.097 -18.740 -8.122 1.00 0.00 C ATOM 1013 C SER A 72 21.020 -17.223 -7.903 1.00 0.00 C ATOM 1014 O SER A 72 22.018 -16.561 -7.696 1.00 0.00 O ATOM 1015 CB SER A 72 22.317 -19.109 -8.969 1.00 0.00 C ATOM 1016 OG SER A 72 23.288 -18.073 -8.885 1.00 0.00 O ATOM 0 H SER A 72 19.603 -18.552 -9.636 1.00 0.00 H new ATOM 0 HA SER A 72 21.136 -19.196 -7.133 1.00 0.00 H new ATOM 0 HB2 SER A 72 22.743 -20.050 -8.620 1.00 0.00 H new ATOM 0 HB3 SER A 72 22.020 -19.259 -10.007 1.00 0.00 H new ATOM 0 HG SER A 72 23.201 -17.612 -8.024 1.00 0.00 H new ATOM 1022 N SER A 73 19.840 -16.665 -7.952 1.00 0.00 N ATOM 1023 CA SER A 73 19.705 -15.192 -7.754 1.00 0.00 C ATOM 1024 C SER A 73 19.157 -14.878 -6.358 1.00 0.00 C ATOM 1025 O SER A 73 19.903 -14.686 -5.418 1.00 0.00 O ATOM 1026 CB SER A 73 18.715 -14.742 -8.826 1.00 0.00 C ATOM 1027 OG SER A 73 18.321 -13.401 -8.570 1.00 0.00 O ATOM 0 H SER A 73 18.966 -17.163 -8.120 1.00 0.00 H new ATOM 0 HA SER A 73 20.665 -14.681 -7.834 1.00 0.00 H new ATOM 0 HB2 SER A 73 19.172 -14.817 -9.813 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.842 -15.395 -8.828 1.00 0.00 H new ATOM 0 HG SER A 73 17.687 -13.109 -9.258 1.00 0.00 H new ATOM 1033 N GLY A 74 17.861 -14.817 -6.218 1.00 0.00 N ATOM 1034 CA GLY A 74 17.269 -14.507 -4.886 1.00 0.00 C ATOM 1035 C GLY A 74 16.400 -15.675 -4.429 1.00 0.00 C ATOM 1036 O GLY A 74 15.187 -15.599 -4.425 1.00 0.00 O ATOM 0 H GLY A 74 17.187 -14.968 -6.968 1.00 0.00 H new ATOM 0 HA2 GLY A 74 18.060 -14.323 -4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 74 16.672 -13.597 -4.945 1.00 0.00 H new ATOM 1040 N PHE A 75 17.013 -16.754 -4.043 1.00 0.00 N ATOM 1041 CA PHE A 75 16.226 -17.933 -3.582 1.00 0.00 C ATOM 1042 C PHE A 75 16.157 -17.957 -2.054 1.00 0.00 C ATOM 1043 O PHE A 75 16.903 -17.279 -1.376 1.00 0.00 O ATOM 1044 CB PHE A 75 16.989 -19.149 -4.109 1.00 0.00 C ATOM 1045 CG PHE A 75 16.544 -20.390 -3.368 1.00 0.00 C ATOM 1046 CD1 PHE A 75 17.033 -20.648 -2.081 1.00 0.00 C ATOM 1047 CD2 PHE A 75 15.640 -21.277 -3.963 1.00 0.00 C ATOM 1048 CE1 PHE A 75 16.618 -21.793 -1.390 1.00 0.00 C ATOM 1049 CE2 PHE A 75 15.224 -22.423 -3.271 1.00 0.00 C ATOM 1050 CZ PHE A 75 15.713 -22.680 -1.984 1.00 0.00 C ATOM 0 H PHE A 75 18.026 -16.874 -4.026 1.00 0.00 H new ATOM 0 HA PHE A 75 15.198 -17.912 -3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 75 16.810 -19.268 -5.178 1.00 0.00 H new ATOM 0 HB3 PHE A 75 18.061 -19.002 -3.980 1.00 0.00 H new ATOM 0 HD1 PHE A 75 17.731 -19.963 -1.621 1.00 0.00 H new ATOM 0 HD2 PHE A 75 15.263 -21.079 -4.955 1.00 0.00 H new ATOM 0 HE1 PHE A 75 16.996 -21.992 -0.398 1.00 0.00 H new ATOM 0 HE2 PHE A 75 14.526 -23.108 -3.730 1.00 0.00 H new ATOM 0 HZ PHE A 75 15.392 -23.562 -1.450 1.00 0.00 H new ATOM 1060 N LYS A 76 15.265 -18.737 -1.509 1.00 0.00 N ATOM 1061 CA LYS A 76 15.144 -18.811 -0.026 1.00 0.00 C ATOM 1062 C LYS A 76 14.236 -19.978 0.366 1.00 0.00 C ATOM 1063 O LYS A 76 13.444 -20.450 -0.423 1.00 0.00 O ATOM 1064 CB LYS A 76 14.517 -17.479 0.385 1.00 0.00 C ATOM 1065 CG LYS A 76 14.838 -17.196 1.853 1.00 0.00 C ATOM 1066 CD LYS A 76 13.540 -16.912 2.610 1.00 0.00 C ATOM 1067 CE LYS A 76 13.822 -15.949 3.764 1.00 0.00 C ATOM 1068 NZ LYS A 76 13.995 -14.619 3.118 1.00 0.00 N ATOM 0 H LYS A 76 14.614 -19.327 -2.027 1.00 0.00 H new ATOM 0 HA LYS A 76 16.104 -18.976 0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.900 -16.675 -0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.438 -17.512 0.238 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.351 -18.050 2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.512 -16.343 1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.800 -16.481 1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.119 -17.842 2.993 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.999 -15.937 4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.717 -16.241 4.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.927 -14.230 3.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.929 -14.723 2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.250 -13.973 3.449 1.00 0.00 H new ATOM 1082 N ARG A 77 14.342 -20.448 1.577 1.00 0.00 N ATOM 1083 CA ARG A 77 13.480 -21.585 2.006 1.00 0.00 C ATOM 1084 C ARG A 77 12.012 -21.264 1.722 1.00 0.00 C ATOM 1085 O ARG A 77 11.200 -22.144 1.513 1.00 0.00 O ATOM 1086 CB ARG A 77 13.714 -21.715 3.511 1.00 0.00 C ATOM 1087 CG ARG A 77 14.489 -23.001 3.797 1.00 0.00 C ATOM 1088 CD ARG A 77 14.419 -23.318 5.293 1.00 0.00 C ATOM 1089 NE ARG A 77 14.555 -24.799 5.379 1.00 0.00 N ATOM 1090 CZ ARG A 77 14.024 -25.447 6.380 1.00 0.00 C ATOM 1091 NH1 ARG A 77 13.777 -24.827 7.501 1.00 0.00 N ATOM 1092 NH2 ARG A 77 13.739 -26.715 6.259 1.00 0.00 N ATOM 0 H ARG A 77 14.985 -20.096 2.286 1.00 0.00 H new ATOM 0 HA ARG A 77 13.717 -22.507 1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 77 14.270 -20.853 3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 77 12.760 -21.728 4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.071 -23.826 3.220 1.00 0.00 H new ATOM 0 HG3 ARG A 77 15.528 -22.889 3.487 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.216 -22.816 5.841 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.476 -22.982 5.724 1.00 0.00 H new ATOM 0 HE ARG A 77 15.063 -25.307 4.655 1.00 0.00 H new ATOM 0 HH11 ARG A 77 13.999 -23.836 7.595 1.00 0.00 H new ATOM 0 HH12 ARG A 77 13.362 -25.333 8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.931 -27.200 5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.324 -27.221 7.041 1.00 0.00 H new ATOM 1106 N SER A 78 11.666 -20.006 1.719 1.00 0.00 N ATOM 1107 CA SER A 78 10.248 -19.623 1.455 1.00 0.00 C ATOM 1108 C SER A 78 10.184 -18.358 0.593 1.00 0.00 C ATOM 1109 O SER A 78 11.187 -17.734 0.308 1.00 0.00 O ATOM 1110 CB SER A 78 9.643 -19.359 2.835 1.00 0.00 C ATOM 1111 OG SER A 78 10.680 -19.308 3.807 1.00 0.00 O ATOM 0 H SER A 78 12.302 -19.227 1.888 1.00 0.00 H new ATOM 0 HA SER A 78 9.710 -20.401 0.913 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.091 -18.419 2.828 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.931 -20.145 3.088 1.00 0.00 H new ATOM 0 HG SER A 78 10.292 -19.137 4.691 1.00 0.00 H new ATOM 1117 N TYR A 79 9.005 -17.979 0.182 1.00 0.00 N ATOM 1118 CA TYR A 79 8.853 -16.756 -0.660 1.00 0.00 C ATOM 1119 C TYR A 79 7.496 -16.102 -0.372 1.00 0.00 C ATOM 1120 O TYR A 79 6.825 -16.450 0.579 1.00 0.00 O ATOM 1121 CB TYR A 79 8.909 -17.262 -2.101 1.00 0.00 C ATOM 1122 CG TYR A 79 10.113 -18.153 -2.287 1.00 0.00 C ATOM 1123 CD1 TYR A 79 11.367 -17.594 -2.561 1.00 0.00 C ATOM 1124 CD2 TYR A 79 9.971 -19.542 -2.194 1.00 0.00 C ATOM 1125 CE1 TYR A 79 12.479 -18.426 -2.741 1.00 0.00 C ATOM 1126 CE2 TYR A 79 11.082 -20.371 -2.372 1.00 0.00 C ATOM 1127 CZ TYR A 79 12.334 -19.814 -2.647 1.00 0.00 C ATOM 1128 OH TYR A 79 13.426 -20.636 -2.824 1.00 0.00 O ATOM 0 H TYR A 79 8.134 -18.466 0.394 1.00 0.00 H new ATOM 0 HA TYR A 79 9.622 -16.010 -0.463 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.998 -17.812 -2.338 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.960 -16.419 -2.790 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.477 -16.522 -2.633 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.003 -19.973 -1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 79 13.447 -17.997 -2.952 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.973 -21.443 -2.297 1.00 0.00 H new ATOM 0 HH TYR A 79 14.018 -20.252 -3.504 1.00 0.00 H new ATOM 1138 N SER A 80 7.078 -15.157 -1.176 1.00 0.00 N ATOM 1139 CA SER A 80 5.760 -14.504 -0.916 1.00 0.00 C ATOM 1140 C SER A 80 5.007 -14.218 -2.229 1.00 0.00 C ATOM 1141 O SER A 80 4.397 -15.099 -2.800 1.00 0.00 O ATOM 1142 CB SER A 80 6.103 -13.204 -0.192 1.00 0.00 C ATOM 1143 OG SER A 80 6.823 -12.352 -1.074 1.00 0.00 O ATOM 0 H SER A 80 7.585 -14.813 -1.991 1.00 0.00 H new ATOM 0 HA SER A 80 5.102 -15.143 -0.328 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.192 -12.711 0.146 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.699 -13.415 0.696 1.00 0.00 H new ATOM 0 HG SER A 80 7.044 -11.516 -0.613 1.00 0.00 H new ATOM 1149 N TYR A 81 5.007 -12.992 -2.699 1.00 0.00 N ATOM 1150 CA TYR A 81 4.259 -12.688 -3.954 1.00 0.00 C ATOM 1151 C TYR A 81 5.203 -12.160 -5.053 1.00 0.00 C ATOM 1152 O TYR A 81 4.772 -11.565 -6.021 1.00 0.00 O ATOM 1153 CB TYR A 81 3.191 -11.658 -3.529 1.00 0.00 C ATOM 1154 CG TYR A 81 3.285 -10.381 -4.332 1.00 0.00 C ATOM 1155 CD1 TYR A 81 4.147 -9.358 -3.921 1.00 0.00 C ATOM 1156 CD2 TYR A 81 2.506 -10.223 -5.482 1.00 0.00 C ATOM 1157 CE1 TYR A 81 4.230 -8.175 -4.662 1.00 0.00 C ATOM 1158 CE2 TYR A 81 2.588 -9.041 -6.224 1.00 0.00 C ATOM 1159 CZ TYR A 81 3.450 -8.016 -5.815 1.00 0.00 C ATOM 1160 OH TYR A 81 3.531 -6.849 -6.548 1.00 0.00 O ATOM 0 H TYR A 81 5.487 -12.200 -2.272 1.00 0.00 H new ATOM 0 HA TYR A 81 3.797 -13.571 -4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.199 -12.092 -3.653 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.309 -11.430 -2.470 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.748 -9.482 -3.032 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.841 -11.014 -5.797 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.895 -7.385 -4.346 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.987 -8.918 -7.113 1.00 0.00 H new ATOM 0 HH TYR A 81 2.926 -6.903 -7.317 1.00 0.00 H new ATOM 1170 N ASN A 82 6.481 -12.402 -4.929 1.00 0.00 N ATOM 1171 CA ASN A 82 7.433 -11.941 -5.984 1.00 0.00 C ATOM 1172 C ASN A 82 8.737 -12.735 -5.899 1.00 0.00 C ATOM 1173 O ASN A 82 8.811 -13.857 -6.353 1.00 0.00 O ATOM 1174 CB ASN A 82 7.680 -10.461 -5.701 1.00 0.00 C ATOM 1175 CG ASN A 82 8.711 -9.916 -6.693 1.00 0.00 C ATOM 1176 OD1 ASN A 82 9.877 -9.803 -6.372 1.00 0.00 O ATOM 1177 ND2 ASN A 82 8.328 -9.571 -7.891 1.00 0.00 N ATOM 0 H ASN A 82 6.907 -12.897 -4.146 1.00 0.00 H new ATOM 0 HA ASN A 82 7.033 -12.091 -6.987 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.747 -9.903 -5.786 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.038 -10.330 -4.680 1.00 0.00 H new ATOM 0 HD21 ASN A 82 9.008 -9.206 -8.558 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.349 -9.666 -8.161 1.00 0.00 H new ATOM 1184 N ASP A 83 9.769 -12.173 -5.331 1.00 0.00 N ATOM 1185 CA ASP A 83 11.053 -12.919 -5.246 1.00 0.00 C ATOM 1186 C ASP A 83 11.343 -13.579 -6.593 1.00 0.00 C ATOM 1187 O ASP A 83 11.218 -14.777 -6.751 1.00 0.00 O ATOM 1188 CB ASP A 83 10.836 -13.974 -4.161 1.00 0.00 C ATOM 1189 CG ASP A 83 11.343 -13.443 -2.818 1.00 0.00 C ATOM 1190 OD1 ASP A 83 11.332 -12.236 -2.638 1.00 0.00 O ATOM 1191 OD2 ASP A 83 11.734 -14.252 -1.993 1.00 0.00 O ATOM 0 H ASP A 83 9.778 -11.237 -4.926 1.00 0.00 H new ATOM 0 HA ASP A 83 11.899 -12.275 -5.008 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.777 -14.223 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.362 -14.892 -4.422 1.00 0.00 H new ATOM 1196 N ASN A 84 11.713 -12.800 -7.571 1.00 0.00 N ATOM 1197 CA ASN A 84 11.992 -13.377 -8.914 1.00 0.00 C ATOM 1198 C ASN A 84 13.260 -14.236 -8.867 1.00 0.00 C ATOM 1199 O ASN A 84 14.349 -13.741 -8.652 1.00 0.00 O ATOM 1200 CB ASN A 84 12.196 -12.166 -9.825 1.00 0.00 C ATOM 1201 CG ASN A 84 13.264 -11.251 -9.225 1.00 0.00 C ATOM 1202 OD1 ASN A 84 14.444 -11.509 -9.356 1.00 0.00 O ATOM 1203 ND2 ASN A 84 12.898 -10.185 -8.567 1.00 0.00 N ATOM 0 H ASN A 84 11.834 -11.790 -7.498 1.00 0.00 H new ATOM 0 HA ASN A 84 11.186 -14.022 -9.265 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.499 -12.493 -10.820 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.259 -11.622 -9.940 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.603 -9.568 -8.163 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.907 -9.969 -8.457 1.00 0.00 H new ATOM 1210 N VAL A 85 13.126 -15.522 -9.062 1.00 0.00 N ATOM 1211 CA VAL A 85 14.327 -16.408 -9.021 1.00 0.00 C ATOM 1212 C VAL A 85 14.824 -16.727 -10.433 1.00 0.00 C ATOM 1213 O VAL A 85 14.114 -17.283 -11.246 1.00 0.00 O ATOM 1214 CB VAL A 85 13.886 -17.690 -8.310 1.00 0.00 C ATOM 1215 CG1 VAL A 85 13.471 -17.356 -6.877 1.00 0.00 C ATOM 1216 CG2 VAL A 85 12.703 -18.334 -9.045 1.00 0.00 C ATOM 0 H VAL A 85 12.242 -15.995 -9.247 1.00 0.00 H new ATOM 0 HA VAL A 85 15.152 -15.922 -8.499 1.00 0.00 H new ATOM 0 HB VAL A 85 14.719 -18.393 -8.303 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.156 -18.267 -6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 85 14.316 -16.917 -6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.644 -16.646 -6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.403 -19.244 -8.525 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.866 -17.637 -9.068 1.00 0.00 H new ATOM 0 HG23 VAL A 85 12.998 -18.580 -10.065 1.00 0.00 H new ATOM 1226 N ASP A 86 16.052 -16.399 -10.720 1.00 0.00 N ATOM 1227 CA ASP A 86 16.612 -16.711 -12.065 1.00 0.00 C ATOM 1228 C ASP A 86 17.096 -18.158 -12.050 1.00 0.00 C ATOM 1229 O ASP A 86 17.722 -18.595 -11.106 1.00 0.00 O ATOM 1230 CB ASP A 86 17.780 -15.743 -12.251 1.00 0.00 C ATOM 1231 CG ASP A 86 18.205 -15.735 -13.720 1.00 0.00 C ATOM 1232 OD1 ASP A 86 17.351 -15.511 -14.562 1.00 0.00 O ATOM 1233 OD2 ASP A 86 19.377 -15.955 -13.979 1.00 0.00 O ATOM 0 H ASP A 86 16.693 -15.928 -10.081 1.00 0.00 H new ATOM 0 HA ASP A 86 15.890 -16.603 -12.874 1.00 0.00 H new ATOM 0 HB2 ASP A 86 17.488 -14.740 -11.940 1.00 0.00 H new ATOM 0 HB3 ASP A 86 18.618 -16.041 -11.620 1.00 0.00 H new ATOM 1238 N PHE A 87 16.791 -18.921 -13.058 1.00 0.00 N ATOM 1239 CA PHE A 87 17.219 -20.344 -13.035 1.00 0.00 C ATOM 1240 C PHE A 87 18.580 -20.543 -13.693 1.00 0.00 C ATOM 1241 O PHE A 87 18.859 -20.045 -14.765 1.00 0.00 O ATOM 1242 CB PHE A 87 16.111 -21.104 -13.754 1.00 0.00 C ATOM 1243 CG PHE A 87 15.022 -21.332 -12.743 1.00 0.00 C ATOM 1244 CD1 PHE A 87 15.252 -22.200 -11.670 1.00 0.00 C ATOM 1245 CD2 PHE A 87 13.808 -20.645 -12.843 1.00 0.00 C ATOM 1246 CE1 PHE A 87 14.269 -22.380 -10.695 1.00 0.00 C ATOM 1247 CE2 PHE A 87 12.820 -20.833 -11.871 1.00 0.00 C ATOM 1248 CZ PHE A 87 13.055 -21.698 -10.795 1.00 0.00 C ATOM 0 H PHE A 87 16.272 -18.628 -13.885 1.00 0.00 H new ATOM 0 HA PHE A 87 17.355 -20.708 -12.017 1.00 0.00 H new ATOM 0 HB2 PHE A 87 15.738 -20.533 -14.604 1.00 0.00 H new ATOM 0 HB3 PHE A 87 16.482 -22.052 -14.145 1.00 0.00 H new ATOM 0 HD1 PHE A 87 16.190 -22.731 -11.596 1.00 0.00 H new ATOM 0 HD2 PHE A 87 13.634 -19.971 -13.669 1.00 0.00 H new ATOM 0 HE1 PHE A 87 14.448 -23.046 -9.864 1.00 0.00 H new ATOM 0 HE2 PHE A 87 11.877 -20.312 -11.950 1.00 0.00 H new ATOM 0 HZ PHE A 87 12.295 -21.838 -10.041 1.00 0.00 H new ATOM 1258 N LYS A 88 19.428 -21.271 -13.023 1.00 0.00 N ATOM 1259 CA LYS A 88 20.796 -21.537 -13.537 1.00 0.00 C ATOM 1260 C LYS A 88 20.938 -23.010 -13.921 1.00 0.00 C ATOM 1261 O LYS A 88 21.281 -23.838 -13.101 1.00 0.00 O ATOM 1262 CB LYS A 88 21.700 -21.222 -12.349 1.00 0.00 C ATOM 1263 CG LYS A 88 22.715 -20.146 -12.742 1.00 0.00 C ATOM 1264 CD LYS A 88 24.102 -20.777 -12.873 1.00 0.00 C ATOM 1265 CE LYS A 88 25.100 -19.719 -13.351 1.00 0.00 C ATOM 1266 NZ LYS A 88 24.729 -19.455 -14.769 1.00 0.00 N ATOM 0 H LYS A 88 19.224 -21.701 -12.121 1.00 0.00 H new ATOM 0 HA LYS A 88 21.035 -20.950 -14.424 1.00 0.00 H new ATOM 0 HB2 LYS A 88 21.101 -20.879 -11.505 1.00 0.00 H new ATOM 0 HB3 LYS A 88 22.219 -22.124 -12.026 1.00 0.00 H new ATOM 0 HG2 LYS A 88 22.424 -19.683 -13.685 1.00 0.00 H new ATOM 0 HG3 LYS A 88 22.733 -19.356 -11.991 1.00 0.00 H new ATOM 0 HD2 LYS A 88 24.420 -21.185 -11.914 1.00 0.00 H new ATOM 0 HD3 LYS A 88 24.070 -21.608 -13.578 1.00 0.00 H new ATOM 0 HE2 LYS A 88 25.033 -18.812 -12.750 1.00 0.00 H new ATOM 0 HE3 LYS A 88 26.126 -20.079 -13.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 25.574 -19.164 -15.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 24.335 -20.320 -15.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 24.019 -18.696 -14.807 1.00 0.00 H new ATOM 1280 N CYS A 89 20.680 -23.350 -15.151 1.00 0.00 N ATOM 1281 CA CYS A 89 20.809 -24.776 -15.558 1.00 0.00 C ATOM 1282 C CYS A 89 22.104 -25.365 -14.991 1.00 0.00 C ATOM 1283 O CYS A 89 23.172 -24.808 -15.149 1.00 0.00 O ATOM 1284 CB CYS A 89 20.841 -24.757 -17.084 1.00 0.00 C ATOM 1285 SG CYS A 89 19.650 -25.965 -17.705 1.00 0.00 S ATOM 0 H CYS A 89 20.387 -22.708 -15.888 1.00 0.00 H new ATOM 0 HA CYS A 89 19.990 -25.391 -15.184 1.00 0.00 H new ATOM 0 HB2 CYS A 89 20.597 -23.761 -17.454 1.00 0.00 H new ATOM 0 HB3 CYS A 89 21.842 -24.994 -17.444 1.00 0.00 H new ATOM 1290 N LYS A 90 22.014 -26.484 -14.323 1.00 0.00 N ATOM 1291 CA LYS A 90 23.235 -27.107 -13.734 1.00 0.00 C ATOM 1292 C LYS A 90 24.410 -27.009 -14.714 1.00 0.00 C ATOM 1293 O LYS A 90 25.209 -26.096 -14.652 1.00 0.00 O ATOM 1294 CB LYS A 90 22.857 -28.569 -13.492 1.00 0.00 C ATOM 1295 CG LYS A 90 22.547 -28.777 -12.009 1.00 0.00 C ATOM 1296 CD LYS A 90 23.842 -28.684 -11.199 1.00 0.00 C ATOM 1297 CE LYS A 90 24.294 -30.088 -10.796 1.00 0.00 C ATOM 1298 NZ LYS A 90 24.517 -30.804 -12.083 1.00 0.00 N ATOM 0 H LYS A 90 21.146 -26.994 -14.160 1.00 0.00 H new ATOM 0 HA LYS A 90 23.549 -26.610 -12.816 1.00 0.00 H new ATOM 0 HB2 LYS A 90 21.990 -28.836 -14.097 1.00 0.00 H new ATOM 0 HB3 LYS A 90 23.674 -29.222 -13.799 1.00 0.00 H new ATOM 0 HG2 LYS A 90 21.836 -28.025 -11.666 1.00 0.00 H new ATOM 0 HG3 LYS A 90 22.080 -29.750 -11.857 1.00 0.00 H new ATOM 0 HD2 LYS A 90 24.618 -28.196 -11.789 1.00 0.00 H new ATOM 0 HD3 LYS A 90 23.685 -28.072 -10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 90 25.206 -30.053 -10.200 1.00 0.00 H new ATOM 0 HE3 LYS A 90 23.537 -30.588 -10.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 25.062 -31.672 -11.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 23.600 -31.051 -12.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 25.045 -30.189 -12.735 1.00 0.00 H new ATOM 1312 N TYR A 91 24.520 -27.946 -15.617 1.00 0.00 N ATOM 1313 CA TYR A 91 25.642 -27.909 -16.603 1.00 0.00 C ATOM 1314 C TYR A 91 25.299 -28.753 -17.835 1.00 0.00 C ATOM 1315 O TYR A 91 24.694 -29.801 -17.733 1.00 0.00 O ATOM 1316 CB TYR A 91 26.840 -28.507 -15.866 1.00 0.00 C ATOM 1317 CG TYR A 91 28.000 -27.542 -15.930 1.00 0.00 C ATOM 1318 CD1 TYR A 91 28.539 -27.175 -17.170 1.00 0.00 C ATOM 1319 CD2 TYR A 91 28.538 -27.013 -14.751 1.00 0.00 C ATOM 1320 CE1 TYR A 91 29.614 -26.281 -17.231 1.00 0.00 C ATOM 1321 CE2 TYR A 91 29.614 -26.118 -14.811 1.00 0.00 C ATOM 1322 CZ TYR A 91 30.151 -25.752 -16.051 1.00 0.00 C ATOM 1323 OH TYR A 91 31.211 -24.870 -16.111 1.00 0.00 O ATOM 0 H TYR A 91 23.882 -28.736 -15.716 1.00 0.00 H new ATOM 0 HA TYR A 91 25.842 -26.898 -16.957 1.00 0.00 H new ATOM 0 HB2 TYR A 91 26.578 -28.710 -14.828 1.00 0.00 H new ATOM 0 HB3 TYR A 91 27.120 -29.460 -16.316 1.00 0.00 H new ATOM 0 HD1 TYR A 91 28.124 -27.583 -18.080 1.00 0.00 H new ATOM 0 HD2 TYR A 91 28.123 -27.295 -13.795 1.00 0.00 H new ATOM 0 HE1 TYR A 91 30.029 -25.999 -18.187 1.00 0.00 H new ATOM 0 HE2 TYR A 91 30.029 -25.711 -13.901 1.00 0.00 H new ATOM 0 HH TYR A 91 31.462 -24.598 -15.204 1.00 0.00 H new ATOM 1333 N GLY A 92 25.684 -28.303 -19.001 1.00 0.00 N ATOM 1334 CA GLY A 92 25.383 -29.078 -20.239 1.00 0.00 C ATOM 1335 C GLY A 92 23.881 -29.349 -20.320 1.00 0.00 C ATOM 1336 O GLY A 92 23.451 -30.478 -20.434 1.00 0.00 O ATOM 0 H GLY A 92 26.194 -27.432 -19.148 1.00 0.00 H new ATOM 0 HA2 GLY A 92 25.711 -28.522 -21.117 1.00 0.00 H new ATOM 0 HA3 GLY A 92 25.933 -30.019 -20.234 1.00 0.00 H new ATOM 1340 N TYR A 93 23.083 -28.320 -20.256 1.00 0.00 N ATOM 1341 CA TYR A 93 21.604 -28.506 -20.321 1.00 0.00 C ATOM 1342 C TYR A 93 20.934 -27.187 -20.716 1.00 0.00 C ATOM 1343 O TYR A 93 21.551 -26.140 -20.705 1.00 0.00 O ATOM 1344 CB TYR A 93 21.205 -28.911 -18.904 1.00 0.00 C ATOM 1345 CG TYR A 93 21.582 -30.353 -18.652 1.00 0.00 C ATOM 1346 CD1 TYR A 93 21.215 -31.348 -19.566 1.00 0.00 C ATOM 1347 CD2 TYR A 93 22.298 -30.694 -17.498 1.00 0.00 C ATOM 1348 CE1 TYR A 93 21.566 -32.683 -19.327 1.00 0.00 C ATOM 1349 CE2 TYR A 93 22.648 -32.027 -17.258 1.00 0.00 C ATOM 1350 CZ TYR A 93 22.282 -33.022 -18.173 1.00 0.00 C ATOM 1351 OH TYR A 93 22.627 -34.337 -17.936 1.00 0.00 O ATOM 0 H TYR A 93 23.392 -27.353 -20.161 1.00 0.00 H new ATOM 0 HA TYR A 93 21.302 -29.250 -21.058 1.00 0.00 H new ATOM 0 HB2 TYR A 93 21.701 -28.265 -18.179 1.00 0.00 H new ATOM 0 HB3 TYR A 93 20.132 -28.778 -18.768 1.00 0.00 H new ATOM 0 HD1 TYR A 93 20.661 -31.086 -20.455 1.00 0.00 H new ATOM 0 HD2 TYR A 93 22.580 -29.927 -16.792 1.00 0.00 H new ATOM 0 HE1 TYR A 93 21.284 -33.450 -20.033 1.00 0.00 H new ATOM 0 HE2 TYR A 93 23.200 -32.289 -16.367 1.00 0.00 H new ATOM 0 HH TYR A 93 23.122 -34.398 -17.092 1.00 0.00 H new ATOM 1361 N LYS A 94 19.677 -27.228 -21.063 1.00 0.00 N ATOM 1362 CA LYS A 94 18.968 -25.976 -21.458 1.00 0.00 C ATOM 1363 C LYS A 94 17.624 -25.886 -20.730 1.00 0.00 C ATOM 1364 O LYS A 94 16.736 -26.685 -20.944 1.00 0.00 O ATOM 1365 CB LYS A 94 18.755 -26.099 -22.968 1.00 0.00 C ATOM 1366 CG LYS A 94 18.043 -24.849 -23.489 1.00 0.00 C ATOM 1367 CD LYS A 94 16.889 -25.262 -24.404 1.00 0.00 C ATOM 1368 CE LYS A 94 15.617 -25.442 -23.573 1.00 0.00 C ATOM 1369 NZ LYS A 94 14.893 -24.146 -23.697 1.00 0.00 N ATOM 0 H LYS A 94 19.109 -28.075 -21.090 1.00 0.00 H new ATOM 0 HA LYS A 94 19.532 -25.080 -21.201 1.00 0.00 H new ATOM 0 HB2 LYS A 94 19.714 -26.220 -23.472 1.00 0.00 H new ATOM 0 HB3 LYS A 94 18.163 -26.987 -23.191 1.00 0.00 H new ATOM 0 HG2 LYS A 94 17.666 -24.258 -22.654 1.00 0.00 H new ATOM 0 HG3 LYS A 94 18.745 -24.218 -24.034 1.00 0.00 H new ATOM 0 HD2 LYS A 94 16.730 -24.504 -25.171 1.00 0.00 H new ATOM 0 HD3 LYS A 94 17.134 -26.191 -24.919 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.014 -26.269 -23.948 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.853 -25.665 -22.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.594 -23.824 -22.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 15.523 -23.436 -24.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.056 -24.272 -24.302 1.00 0.00 H new ATOM 1383 N LEU A 95 17.469 -24.922 -19.866 1.00 0.00 N ATOM 1384 CA LEU A 95 16.182 -24.792 -19.124 1.00 0.00 C ATOM 1385 C LEU A 95 14.997 -24.925 -20.081 1.00 0.00 C ATOM 1386 O LEU A 95 14.709 -24.037 -20.858 1.00 0.00 O ATOM 1387 CB LEU A 95 16.207 -23.392 -18.510 1.00 0.00 C ATOM 1388 CG LEU A 95 17.243 -23.341 -17.391 1.00 0.00 C ATOM 1389 CD1 LEU A 95 17.815 -21.926 -17.289 1.00 0.00 C ATOM 1390 CD2 LEU A 95 16.583 -23.722 -16.065 1.00 0.00 C ATOM 0 H LEU A 95 18.174 -24.220 -19.641 1.00 0.00 H new ATOM 0 HA LEU A 95 16.073 -25.569 -18.367 1.00 0.00 H new ATOM 0 HB2 LEU A 95 16.446 -22.653 -19.275 1.00 0.00 H new ATOM 0 HB3 LEU A 95 15.222 -23.138 -18.119 1.00 0.00 H new ATOM 0 HG LEU A 95 18.048 -24.043 -17.610 1.00 0.00 H new ATOM 0 HD11 LEU A 95 18.555 -21.889 -16.490 1.00 0.00 H new ATOM 0 HD12 LEU A 95 18.287 -21.656 -18.233 1.00 0.00 H new ATOM 0 HD13 LEU A 95 17.011 -21.223 -17.071 1.00 0.00 H new ATOM 0 HD21 LEU A 95 17.324 -23.685 -15.266 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.777 -23.022 -15.845 1.00 0.00 H new ATOM 0 HD23 LEU A 95 16.177 -24.731 -16.137 1.00 0.00 H new ATOM 1402 N SER A 96 14.303 -26.024 -20.019 1.00 0.00 N ATOM 1403 CA SER A 96 13.130 -26.214 -20.912 1.00 0.00 C ATOM 1404 C SER A 96 11.870 -25.687 -20.226 1.00 0.00 C ATOM 1405 O SER A 96 11.261 -26.369 -19.427 1.00 0.00 O ATOM 1406 CB SER A 96 13.029 -27.725 -21.116 1.00 0.00 C ATOM 1407 OG SER A 96 11.665 -28.085 -21.291 1.00 0.00 O ATOM 0 H SER A 96 14.498 -26.801 -19.387 1.00 0.00 H new ATOM 0 HA SER A 96 13.235 -25.681 -21.857 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.611 -28.026 -21.987 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.448 -28.248 -20.257 1.00 0.00 H new ATOM 0 HG SER A 96 11.168 -27.895 -20.468 1.00 0.00 H new ATOM 1413 N GLY A 97 11.472 -24.480 -20.524 1.00 0.00 N ATOM 1414 CA GLY A 97 10.247 -23.934 -19.878 1.00 0.00 C ATOM 1415 C GLY A 97 10.437 -22.458 -19.529 1.00 0.00 C ATOM 1416 O GLY A 97 9.533 -21.659 -19.678 1.00 0.00 O ATOM 0 H GLY A 97 11.938 -23.854 -21.181 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.394 -24.048 -20.547 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.022 -24.501 -18.975 1.00 0.00 H new ATOM 1420 N SER A 98 11.591 -22.082 -19.052 1.00 0.00 N ATOM 1421 CA SER A 98 11.797 -20.650 -18.686 1.00 0.00 C ATOM 1422 C SER A 98 13.187 -20.417 -18.092 1.00 0.00 C ATOM 1423 O SER A 98 14.085 -21.225 -18.216 1.00 0.00 O ATOM 1424 CB SER A 98 10.706 -20.367 -17.650 1.00 0.00 C ATOM 1425 OG SER A 98 11.299 -19.970 -16.420 1.00 0.00 O ATOM 0 H SER A 98 12.392 -22.695 -18.901 1.00 0.00 H new ATOM 0 HA SER A 98 11.736 -19.992 -19.553 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.042 -19.583 -18.013 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.096 -21.257 -17.499 1.00 0.00 H new ATOM 0 HG SER A 98 10.662 -20.111 -15.689 1.00 0.00 H new ATOM 1431 N SER A 99 13.360 -19.295 -17.459 1.00 0.00 N ATOM 1432 CA SER A 99 14.679 -18.963 -16.843 1.00 0.00 C ATOM 1433 C SER A 99 14.478 -18.091 -15.602 1.00 0.00 C ATOM 1434 O SER A 99 14.959 -18.400 -14.533 1.00 0.00 O ATOM 1435 CB SER A 99 15.445 -18.195 -17.920 1.00 0.00 C ATOM 1436 OG SER A 99 14.538 -17.763 -18.927 1.00 0.00 O ATOM 0 H SER A 99 12.639 -18.584 -17.338 1.00 0.00 H new ATOM 0 HA SER A 99 15.218 -19.855 -16.522 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.952 -17.337 -17.479 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.215 -18.830 -18.357 1.00 0.00 H new ATOM 0 HG SER A 99 15.027 -17.269 -19.618 1.00 0.00 H new ATOM 1442 N SER A 100 13.773 -17.006 -15.736 1.00 0.00 N ATOM 1443 CA SER A 100 13.549 -16.117 -14.559 1.00 0.00 C ATOM 1444 C SER A 100 12.084 -16.170 -14.113 1.00 0.00 C ATOM 1445 O SER A 100 11.211 -15.610 -14.745 1.00 0.00 O ATOM 1446 CB SER A 100 13.916 -14.715 -15.046 1.00 0.00 C ATOM 1447 OG SER A 100 13.002 -14.313 -16.057 1.00 0.00 O ATOM 0 H SER A 100 13.342 -16.694 -16.606 1.00 0.00 H new ATOM 0 HA SER A 100 14.146 -16.419 -13.698 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.889 -14.010 -14.215 1.00 0.00 H new ATOM 0 HB3 SER A 100 14.934 -14.708 -15.437 1.00 0.00 H new ATOM 0 HG SER A 100 12.147 -14.775 -15.928 1.00 0.00 H new ATOM 1453 N SER A 101 11.812 -16.838 -13.024 1.00 0.00 N ATOM 1454 CA SER A 101 10.406 -16.925 -12.529 1.00 0.00 C ATOM 1455 C SER A 101 10.272 -16.192 -11.200 1.00 0.00 C ATOM 1456 O SER A 101 11.249 -15.884 -10.548 1.00 0.00 O ATOM 1457 CB SER A 101 10.134 -18.416 -12.349 1.00 0.00 C ATOM 1458 OG SER A 101 10.326 -19.083 -13.590 1.00 0.00 O ATOM 0 H SER A 101 12.503 -17.328 -12.455 1.00 0.00 H new ATOM 0 HA SER A 101 9.698 -16.466 -13.219 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.802 -18.830 -11.594 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.115 -18.571 -11.994 1.00 0.00 H new ATOM 0 HG SER A 101 9.492 -19.522 -13.858 1.00 0.00 H new ATOM 1464 N THR A 102 9.069 -15.905 -10.794 1.00 0.00 N ATOM 1465 CA THR A 102 8.880 -15.185 -9.509 1.00 0.00 C ATOM 1466 C THR A 102 7.793 -15.849 -8.668 1.00 0.00 C ATOM 1467 O THR A 102 6.795 -16.328 -9.175 1.00 0.00 O ATOM 1468 CB THR A 102 8.464 -13.768 -9.900 1.00 0.00 C ATOM 1469 OG1 THR A 102 8.992 -13.460 -11.186 1.00 0.00 O ATOM 1470 CG2 THR A 102 9.002 -12.779 -8.862 1.00 0.00 C ATOM 0 H THR A 102 8.211 -16.137 -11.295 1.00 0.00 H new ATOM 0 HA THR A 102 9.788 -15.193 -8.905 1.00 0.00 H new ATOM 0 HB THR A 102 7.377 -13.697 -9.933 1.00 0.00 H new ATOM 0 HG1 THR A 102 8.725 -12.552 -11.440 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.707 -11.766 -9.137 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.593 -13.022 -7.881 1.00 0.00 H new ATOM 0 HG23 THR A 102 10.090 -12.844 -8.827 1.00 0.00 H new ATOM 1478 N CYS A 103 7.985 -15.867 -7.382 1.00 0.00 N ATOM 1479 CA CYS A 103 6.983 -16.475 -6.470 1.00 0.00 C ATOM 1480 C CYS A 103 5.760 -15.549 -6.386 1.00 0.00 C ATOM 1481 O CYS A 103 5.761 -14.573 -5.671 1.00 0.00 O ATOM 1482 CB CYS A 103 7.737 -16.581 -5.132 1.00 0.00 C ATOM 1483 SG CYS A 103 6.625 -16.302 -3.732 1.00 0.00 S ATOM 0 H CYS A 103 8.807 -15.480 -6.917 1.00 0.00 H new ATOM 0 HA CYS A 103 6.604 -17.446 -6.789 1.00 0.00 H new ATOM 0 HB2 CYS A 103 8.194 -17.567 -5.046 1.00 0.00 H new ATOM 0 HB3 CYS A 103 8.546 -15.851 -5.108 1.00 0.00 H new ATOM 1488 N SER A 104 4.732 -15.837 -7.133 1.00 0.00 N ATOM 1489 CA SER A 104 3.522 -14.957 -7.123 1.00 0.00 C ATOM 1490 C SER A 104 2.781 -15.009 -5.797 1.00 0.00 C ATOM 1491 O SER A 104 3.155 -15.726 -4.889 1.00 0.00 O ATOM 1492 CB SER A 104 2.648 -15.478 -8.263 1.00 0.00 C ATOM 1493 OG SER A 104 1.511 -16.138 -7.721 1.00 0.00 O ATOM 0 H SER A 104 4.674 -16.645 -7.753 1.00 0.00 H new ATOM 0 HA SER A 104 3.795 -13.910 -7.253 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.333 -14.653 -8.902 1.00 0.00 H new ATOM 0 HB3 SER A 104 3.218 -16.165 -8.888 1.00 0.00 H new ATOM 0 HG SER A 104 0.948 -16.472 -8.450 1.00 0.00 H new ATOM 1499 N PRO A 105 1.763 -14.193 -5.729 1.00 0.00 N ATOM 1500 CA PRO A 105 0.961 -14.075 -4.497 1.00 0.00 C ATOM 1501 C PRO A 105 0.127 -15.333 -4.241 1.00 0.00 C ATOM 1502 O PRO A 105 -0.114 -15.709 -3.110 1.00 0.00 O ATOM 1503 CB PRO A 105 0.065 -12.865 -4.759 1.00 0.00 C ATOM 1504 CG PRO A 105 -0.022 -12.760 -6.243 1.00 0.00 C ATOM 1505 CD PRO A 105 1.266 -13.313 -6.796 1.00 0.00 C ATOM 0 HA PRO A 105 1.582 -13.959 -3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.921 -13.001 -4.315 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.488 -11.960 -4.324 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.877 -13.321 -6.621 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -0.160 -11.723 -6.550 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.099 -13.864 -7.722 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.977 -12.518 -7.022 1.00 0.00 H new ATOM 1513 N GLY A 106 -0.328 -15.984 -5.267 1.00 0.00 N ATOM 1514 CA GLY A 106 -1.158 -17.197 -5.048 1.00 0.00 C ATOM 1515 C GLY A 106 -0.285 -18.385 -4.622 1.00 0.00 C ATOM 1516 O GLY A 106 -0.768 -19.488 -4.466 1.00 0.00 O ATOM 0 H GLY A 106 -0.164 -15.733 -6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.907 -16.997 -4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.696 -17.445 -5.963 1.00 0.00 H new ATOM 1520 N ASN A 107 0.992 -18.163 -4.423 1.00 0.00 N ATOM 1521 CA ASN A 107 1.915 -19.262 -3.989 1.00 0.00 C ATOM 1522 C ASN A 107 2.289 -20.161 -5.171 1.00 0.00 C ATOM 1523 O ASN A 107 1.637 -21.150 -5.441 1.00 0.00 O ATOM 1524 CB ASN A 107 1.160 -20.067 -2.920 1.00 0.00 C ATOM 1525 CG ASN A 107 0.362 -19.123 -2.014 1.00 0.00 C ATOM 1526 OD1 ASN A 107 0.549 -17.923 -2.049 1.00 0.00 O ATOM 1527 ND2 ASN A 107 -0.528 -19.619 -1.198 1.00 0.00 N ATOM 0 H ASN A 107 1.441 -17.255 -4.544 1.00 0.00 H new ATOM 0 HA ASN A 107 2.846 -18.854 -3.595 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.488 -20.779 -3.398 1.00 0.00 H new ATOM 0 HB3 ASN A 107 1.866 -20.645 -2.324 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.065 -18.999 -0.591 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -0.686 -20.626 -1.167 1.00 0.00 H new ATOM 1534 N THR A 108 3.343 -19.830 -5.870 1.00 0.00 N ATOM 1535 CA THR A 108 3.767 -20.673 -7.024 1.00 0.00 C ATOM 1536 C THR A 108 5.039 -20.119 -7.666 1.00 0.00 C ATOM 1537 O THR A 108 5.767 -19.352 -7.068 1.00 0.00 O ATOM 1538 CB THR A 108 2.603 -20.624 -8.005 1.00 0.00 C ATOM 1539 OG1 THR A 108 1.701 -19.592 -7.628 1.00 0.00 O ATOM 1540 CG2 THR A 108 1.890 -21.971 -7.981 1.00 0.00 C ATOM 0 H THR A 108 3.927 -19.013 -5.691 1.00 0.00 H new ATOM 0 HA THR A 108 3.997 -21.693 -6.716 1.00 0.00 H new ATOM 0 HB THR A 108 2.970 -20.418 -9.010 1.00 0.00 H new ATOM 0 HG1 THR A 108 0.954 -19.563 -8.262 1.00 0.00 H new ATOM 0 HG21 THR A 108 1.053 -21.952 -8.679 1.00 0.00 H new ATOM 0 HG22 THR A 108 2.587 -22.757 -8.272 1.00 0.00 H new ATOM 0 HG23 THR A 108 1.519 -22.169 -6.975 1.00 0.00 H new ATOM 1548 N TRP A 109 5.322 -20.516 -8.878 1.00 0.00 N ATOM 1549 CA TRP A 109 6.558 -20.025 -9.549 1.00 0.00 C ATOM 1550 C TRP A 109 6.322 -19.784 -11.042 1.00 0.00 C ATOM 1551 O TRP A 109 6.377 -20.692 -11.848 1.00 0.00 O ATOM 1552 CB TRP A 109 7.579 -21.134 -9.323 1.00 0.00 C ATOM 1553 CG TRP A 109 8.229 -20.908 -7.998 1.00 0.00 C ATOM 1554 CD1 TRP A 109 8.230 -21.779 -6.962 1.00 0.00 C ATOM 1555 CD2 TRP A 109 8.964 -19.736 -7.550 1.00 0.00 C ATOM 1556 NE1 TRP A 109 8.916 -21.209 -5.904 1.00 0.00 N ATOM 1557 CE2 TRP A 109 9.394 -19.952 -6.221 1.00 0.00 C ATOM 1558 CE3 TRP A 109 9.300 -18.519 -8.167 1.00 0.00 C ATOM 1559 CZ2 TRP A 109 10.130 -18.990 -5.526 1.00 0.00 C ATOM 1560 CZ3 TRP A 109 10.042 -17.552 -7.473 1.00 0.00 C ATOM 1561 CH2 TRP A 109 10.457 -17.785 -6.156 1.00 0.00 C ATOM 0 H TRP A 109 4.752 -21.157 -9.430 1.00 0.00 H new ATOM 0 HA TRP A 109 6.892 -19.068 -9.148 1.00 0.00 H new ATOM 0 HB2 TRP A 109 7.092 -22.109 -9.346 1.00 0.00 H new ATOM 0 HB3 TRP A 109 8.325 -21.131 -10.118 1.00 0.00 H new ATOM 0 HD1 TRP A 109 7.771 -22.757 -6.961 1.00 0.00 H new ATOM 0 HE1 TRP A 109 9.052 -21.662 -5.000 1.00 0.00 H new ATOM 0 HE3 TRP A 109 8.985 -18.327 -9.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 10.444 -19.175 -4.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 10.295 -16.621 -7.958 1.00 0.00 H new ATOM 0 HH2 TRP A 109 11.028 -17.036 -5.628 1.00 0.00 H new ATOM 1572 N LYS A 110 6.073 -18.556 -11.415 1.00 0.00 N ATOM 1573 CA LYS A 110 5.847 -18.239 -12.855 1.00 0.00 C ATOM 1574 C LYS A 110 7.071 -17.503 -13.416 1.00 0.00 C ATOM 1575 O LYS A 110 7.700 -16.740 -12.709 1.00 0.00 O ATOM 1576 CB LYS A 110 4.620 -17.326 -12.874 1.00 0.00 C ATOM 1577 CG LYS A 110 3.460 -18.008 -12.144 1.00 0.00 C ATOM 1578 CD LYS A 110 2.141 -17.649 -12.832 1.00 0.00 C ATOM 1579 CE LYS A 110 1.738 -18.776 -13.785 1.00 0.00 C ATOM 1580 NZ LYS A 110 0.824 -19.641 -12.990 1.00 0.00 N ATOM 0 H LYS A 110 6.016 -17.758 -10.783 1.00 0.00 H new ATOM 0 HA LYS A 110 5.695 -19.132 -13.462 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.855 -16.375 -12.396 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.335 -17.104 -13.903 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.601 -19.089 -12.146 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.436 -17.691 -11.101 1.00 0.00 H new ATOM 0 HD2 LYS A 110 1.361 -17.492 -12.087 1.00 0.00 H new ATOM 0 HD3 LYS A 110 2.248 -16.714 -13.382 1.00 0.00 H new ATOM 0 HE2 LYS A 110 1.240 -18.384 -14.672 1.00 0.00 H new ATOM 0 HE3 LYS A 110 2.609 -19.333 -14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.504 -20.438 -13.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.328 -20.004 -12.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.001 -19.085 -12.682 1.00 0.00 H new ATOM 1594 N PRO A 111 7.379 -17.744 -14.668 1.00 0.00 N ATOM 1595 CA PRO A 111 6.589 -18.684 -15.510 1.00 0.00 C ATOM 1596 C PRO A 111 6.844 -20.135 -15.102 1.00 0.00 C ATOM 1597 O PRO A 111 7.622 -20.417 -14.212 1.00 0.00 O ATOM 1598 CB PRO A 111 7.120 -18.432 -16.918 1.00 0.00 C ATOM 1599 CG PRO A 111 8.498 -17.893 -16.718 1.00 0.00 C ATOM 1600 CD PRO A 111 8.496 -17.151 -15.411 1.00 0.00 C ATOM 0 HA PRO A 111 5.514 -18.527 -15.417 1.00 0.00 H new ATOM 0 HB2 PRO A 111 7.136 -19.351 -17.504 1.00 0.00 H new ATOM 0 HB3 PRO A 111 6.492 -17.722 -17.456 1.00 0.00 H new ATOM 0 HG2 PRO A 111 9.229 -18.701 -16.701 1.00 0.00 H new ATOM 0 HG3 PRO A 111 8.775 -17.230 -17.537 1.00 0.00 H new ATOM 0 HD2 PRO A 111 9.440 -17.276 -14.880 1.00 0.00 H new ATOM 0 HD3 PRO A 111 8.353 -16.081 -15.560 1.00 0.00 H new ATOM 1608 N GLU A 112 6.185 -21.055 -15.751 1.00 0.00 N ATOM 1609 CA GLU A 112 6.373 -22.495 -15.417 1.00 0.00 C ATOM 1610 C GLU A 112 7.852 -22.792 -15.154 1.00 0.00 C ATOM 1611 O GLU A 112 8.695 -22.588 -16.004 1.00 0.00 O ATOM 1612 CB GLU A 112 5.890 -23.252 -16.655 1.00 0.00 C ATOM 1613 CG GLU A 112 5.313 -24.605 -16.235 1.00 0.00 C ATOM 1614 CD GLU A 112 4.257 -25.046 -17.251 1.00 0.00 C ATOM 1615 OE1 GLU A 112 4.051 -24.325 -18.213 1.00 0.00 O ATOM 1616 OE2 GLU A 112 3.672 -26.097 -17.048 1.00 0.00 O ATOM 0 H GLU A 112 5.521 -20.870 -16.503 1.00 0.00 H new ATOM 0 HA GLU A 112 5.827 -22.784 -14.519 1.00 0.00 H new ATOM 0 HB2 GLU A 112 5.132 -22.669 -17.178 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.717 -23.398 -17.350 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.108 -25.348 -16.174 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.869 -24.531 -15.242 1.00 0.00 H new ATOM 1623 N LEU A 113 8.169 -23.278 -13.983 1.00 0.00 N ATOM 1624 CA LEU A 113 9.591 -23.597 -13.661 1.00 0.00 C ATOM 1625 C LEU A 113 10.267 -24.250 -14.868 1.00 0.00 C ATOM 1626 O LEU A 113 9.682 -25.072 -15.544 1.00 0.00 O ATOM 1627 CB LEU A 113 9.512 -24.575 -12.492 1.00 0.00 C ATOM 1628 CG LEU A 113 10.224 -23.991 -11.263 1.00 0.00 C ATOM 1629 CD1 LEU A 113 9.863 -22.511 -11.096 1.00 0.00 C ATOM 1630 CD2 LEU A 113 9.783 -24.758 -10.014 1.00 0.00 C ATOM 0 H LEU A 113 7.503 -23.468 -13.234 1.00 0.00 H new ATOM 0 HA LEU A 113 10.175 -22.711 -13.413 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.469 -24.783 -12.252 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.971 -25.524 -12.770 1.00 0.00 H new ATOM 0 HG LEU A 113 11.302 -24.083 -11.399 1.00 0.00 H new ATOM 0 HD11 LEU A 113 10.374 -22.108 -10.221 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.172 -21.959 -11.983 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.786 -22.412 -10.964 1.00 0.00 H new ATOM 0 HD21 LEU A 113 10.286 -24.347 -9.138 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.704 -24.663 -9.891 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.045 -25.811 -10.122 1.00 0.00 H new ATOM 1642 N PRO A 114 11.481 -23.842 -15.101 1.00 0.00 N ATOM 1643 CA PRO A 114 12.262 -24.368 -16.247 1.00 0.00 C ATOM 1644 C PRO A 114 12.769 -25.790 -15.984 1.00 0.00 C ATOM 1645 O PRO A 114 12.842 -26.238 -14.857 1.00 0.00 O ATOM 1646 CB PRO A 114 13.425 -23.392 -16.354 1.00 0.00 C ATOM 1647 CG PRO A 114 13.576 -22.792 -14.992 1.00 0.00 C ATOM 1648 CD PRO A 114 12.232 -22.853 -14.321 1.00 0.00 C ATOM 0 HA PRO A 114 11.669 -24.439 -17.159 1.00 0.00 H new ATOM 0 HB2 PRO A 114 14.338 -23.903 -16.660 1.00 0.00 H new ATOM 0 HB3 PRO A 114 13.224 -22.624 -17.100 1.00 0.00 H new ATOM 0 HG2 PRO A 114 14.319 -23.339 -14.412 1.00 0.00 H new ATOM 0 HG3 PRO A 114 13.923 -21.761 -15.063 1.00 0.00 H new ATOM 0 HD2 PRO A 114 12.322 -23.155 -13.277 1.00 0.00 H new ATOM 0 HD3 PRO A 114 11.738 -21.881 -14.330 1.00 0.00 H new ATOM 1656 N LYS A 115 13.122 -26.500 -17.026 1.00 0.00 N ATOM 1657 CA LYS A 115 13.630 -27.892 -16.847 1.00 0.00 C ATOM 1658 C LYS A 115 14.994 -28.063 -17.517 1.00 0.00 C ATOM 1659 O LYS A 115 15.089 -28.256 -18.708 1.00 0.00 O ATOM 1660 CB LYS A 115 12.588 -28.789 -17.518 1.00 0.00 C ATOM 1661 CG LYS A 115 13.037 -30.249 -17.423 1.00 0.00 C ATOM 1662 CD LYS A 115 11.811 -31.162 -17.350 1.00 0.00 C ATOM 1663 CE LYS A 115 11.795 -32.093 -18.565 1.00 0.00 C ATOM 1664 NZ LYS A 115 12.376 -33.375 -18.076 1.00 0.00 N ATOM 0 H LYS A 115 13.080 -26.175 -17.992 1.00 0.00 H new ATOM 0 HA LYS A 115 13.767 -28.140 -15.794 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.619 -28.663 -17.035 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.464 -28.502 -18.562 1.00 0.00 H new ATOM 0 HG2 LYS A 115 13.645 -30.510 -18.289 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.661 -30.391 -16.541 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.834 -31.747 -16.431 1.00 0.00 H new ATOM 0 HD3 LYS A 115 10.900 -30.564 -17.325 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.781 -32.236 -18.939 1.00 0.00 H new ATOM 0 HE3 LYS A 115 12.382 -31.681 -19.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 12.398 -34.065 -18.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.343 -33.209 -17.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 11.792 -33.747 -17.300 1.00 0.00 H new ATOM 1678 N CYS A 116 16.052 -28.008 -16.754 1.00 0.00 N ATOM 1679 CA CYS A 116 17.410 -28.185 -17.345 1.00 0.00 C ATOM 1680 C CYS A 116 17.451 -29.483 -18.145 1.00 0.00 C ATOM 1681 O CYS A 116 17.567 -30.562 -17.600 1.00 0.00 O ATOM 1682 CB CYS A 116 18.345 -28.252 -16.139 1.00 0.00 C ATOM 1683 SG CYS A 116 19.982 -27.597 -16.560 1.00 0.00 S ATOM 0 H CYS A 116 16.035 -27.848 -15.747 1.00 0.00 H new ATOM 0 HA CYS A 116 17.690 -27.383 -18.028 1.00 0.00 H new ATOM 0 HB2 CYS A 116 17.921 -27.682 -15.312 1.00 0.00 H new ATOM 0 HB3 CYS A 116 18.437 -29.284 -15.801 1.00 0.00 H new ATOM 1688 N VAL A 117 17.344 -29.382 -19.438 1.00 0.00 N ATOM 1689 CA VAL A 117 17.363 -30.605 -20.283 1.00 0.00 C ATOM 1690 C VAL A 117 18.530 -30.572 -21.240 1.00 0.00 C ATOM 1691 O VAL A 117 19.298 -29.633 -21.276 1.00 0.00 O ATOM 1692 CB VAL A 117 16.061 -30.583 -21.070 1.00 0.00 C ATOM 1693 CG1 VAL A 117 14.959 -31.110 -20.183 1.00 0.00 C ATOM 1694 CG2 VAL A 117 15.725 -29.154 -21.502 1.00 0.00 C ATOM 0 H VAL A 117 17.244 -28.504 -19.947 1.00 0.00 H new ATOM 0 HA VAL A 117 17.463 -31.503 -19.674 1.00 0.00 H new ATOM 0 HB VAL A 117 16.163 -31.201 -21.962 1.00 0.00 H new ATOM 0 HG11 VAL A 117 14.016 -31.102 -20.730 1.00 0.00 H new ATOM 0 HG12 VAL A 117 15.193 -32.130 -19.879 1.00 0.00 H new ATOM 0 HG13 VAL A 117 14.871 -30.479 -19.299 1.00 0.00 H new ATOM 0 HG21 VAL A 117 14.791 -29.154 -22.064 1.00 0.00 H new ATOM 0 HG22 VAL A 117 15.618 -28.523 -20.620 1.00 0.00 H new ATOM 0 HG23 VAL A 117 16.527 -28.766 -22.130 1.00 0.00 H new ATOM 1704 N ARG A 118 18.668 -31.592 -22.023 1.00 0.00 N ATOM 1705 CA ARG A 118 19.788 -31.611 -22.982 1.00 0.00 C ATOM 1706 C ARG A 118 19.265 -31.804 -24.409 1.00 0.00 C ATOM 1707 O ARG A 118 19.904 -31.312 -25.324 1.00 0.00 O ATOM 1708 CB ARG A 118 20.667 -32.790 -22.557 1.00 0.00 C ATOM 1709 CG ARG A 118 19.780 -33.976 -22.167 1.00 0.00 C ATOM 1710 CD ARG A 118 20.651 -35.207 -21.915 1.00 0.00 C ATOM 1711 NE ARG A 118 20.155 -36.228 -22.879 1.00 0.00 N ATOM 1712 CZ ARG A 118 19.278 -37.115 -22.495 1.00 0.00 C ATOM 1713 NH1 ARG A 118 18.296 -36.766 -21.708 1.00 0.00 N ATOM 1714 NH2 ARG A 118 19.383 -38.352 -22.898 1.00 0.00 N ATOM 1715 OXT ARG A 118 18.235 -32.440 -24.560 1.00 0.00 O ATOM 0 H ARG A 118 18.057 -32.409 -22.041 1.00 0.00 H new ATOM 0 HA ARG A 118 20.346 -30.675 -22.978 1.00 0.00 H new ATOM 0 HB2 ARG A 118 21.333 -33.073 -23.372 1.00 0.00 H new ATOM 0 HB3 ARG A 118 21.298 -32.502 -21.716 1.00 0.00 H new ATOM 0 HG2 ARG A 118 19.206 -33.735 -21.272 1.00 0.00 H new ATOM 0 HG3 ARG A 118 19.062 -34.182 -22.961 1.00 0.00 H new ATOM 0 HD2 ARG A 118 21.705 -34.986 -22.081 1.00 0.00 H new ATOM 0 HD3 ARG A 118 20.556 -35.555 -20.886 1.00 0.00 H new ATOM 0 HE ARG A 118 20.500 -36.234 -23.839 1.00 0.00 H new ATOM 0 HH11 ARG A 118 18.214 -35.799 -21.393 1.00 0.00 H new ATOM 0 HH12 ARG A 118 17.611 -37.460 -21.409 1.00 0.00 H new ATOM 0 HH21 ARG A 118 20.150 -38.625 -23.513 1.00 0.00 H new ATOM 0 HH22 ARG A 118 18.698 -39.046 -22.598 1.00 0.00 H new